CID 5353760

Methoprene acid

Structural Information

Molecular Formula
C16H28O3
SMILES
CC(CCCC(C)(C)OC)C/C=C/C(=C/C(=O)O)/C
InChI
InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+
InChIKey
MNYBEULOKRVZKY-TZOAMJEDSA-N
Compound name
(2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

340
Patents

268.20386 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.211136 169.4
[M+Na]+ 291.193078 172.9
[M-H]- 267.196584 167.2
[M+NH4]+ 286.237683 185.4
[M+K]+ 307.167018 170.7
[M+H-H2O]+ 251.201120 164.4
[M+HCOO]- 313.202061 185.4
[M+CH3COO]- 327.217711 199.3
[M+Na-2H]- 289.178526 168.0
[M]+ 268.20331142 172.3
[M]- 268.20440858 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe