CID 381256

Dihydroperillic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(=C)C1CCC(CC1)C(=O)O

InChI

InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)

InChIKey

XZOBEDLKVOHSSH-UHFFFAOYSA-N

Compound name

4-prop-1-en-2-ylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 219
Patents: 168.11504 Da
Monoisotopic Mass: 2.9
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]+	169.12232	138.0
[M+Na]+	191.10426	142.5
[M-H]-	167.10776	139.5
[M+NH4]+	186.14886	157.6
[M+K]+	207.07820	140.9
[M+H-H2O]+	151.11230	133.0
[M+HCOO]-	213.11324	155.2
[M+CH3COO]-	227.12889	178.0
[M+Na-2H]-	189.08971	139.1
[M]+	168.11449	132.7
[M]-	168.11559	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe