PubChemLite - Pyrethrin ii (C22H28O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C

InChI

InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1

InChIKey

VJFUPGQZSXIULQ-XIGJTORUSA-N

Compound name

[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	373.20094	188.0
[M+Na]+	395.18288	197.3
[M+NH4]+	390.22748	193.7
[M+K]+	411.15682	194.1
[M-H]-	371.18638	194.1
[M+Na-2H]-	393.16833	191.6
[M]+	372.19311	191.9
[M]-	372.19421	191.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.20094

188.0

[M+Na]+

395.18288

197.3

[M+NH4]+

390.22748

193.7

[M+K]+

411.15682

194.1

[M-H]-

371.18638

194.1

[M+Na-2H]-

393.16833

191.6

[M]+

372.19311

191.9

[M]-

372.19421

191.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pyrethrin ii

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe