CID 95619

Dtxsid20884167

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CC(C)OC(=O)C1C(C1(C)C)C=C(C)C

InChI

InChI=1S/C13H22O2/c1-8(2)7-10-11(13(10,5)6)12(14)15-9(3)4/h7,9-11H,1-6H3

InChIKey

KTDHAAMLKPAGNH-UHFFFAOYSA-N

Compound name

propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 210.16199 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

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]+	211.169266	147.3
[M+Na]+	233.151208	156.2
[M-H]-	209.154714	152.3
[M+NH4]+	228.195813	164.1
[M+K]+	249.125148	154.7
[M+H-H2O]+	193.159250	143.3
[M+HCOO]-	255.160191	166.9
[M+CH3COO]-	269.175841	194.8
[M+Na-2H]-	231.136656	148.1
[M]+	210.16144142	153.1
[M]-	210.16253858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe