CID 18665782

478045-62-4

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC(CC1)[C@@H]2C[C@H]2C(=O)O

InChI

InChI=1S/C10H16O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12)/t8-,9+/m0/s1

InChIKey

OMTOEUCUCXPIED-DTWKUNHWSA-N

Compound name

(1R,2S)-2-cyclohexylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	135.6
[M+Na]+	191.10426	142.0
[M-H]-	167.10776	141.2
[M+NH4]+	186.14886	150.4
[M+K]+	207.07820	139.7
[M+H-H2O]+	151.11230	129.6
[M+HCOO]-	213.11324	154.2
[M+CH3COO]-	227.12889	180.0
[M+Na-2H]-	189.08971	138.7
[M]+	168.11449	133.1
[M]-	168.11559	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe