CID 124510185

En300-1734821

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1CCC(CC1)[C@@H]2C[C@H]2C(=O)O

InChI

InChI=1S/C11H18O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/t7?,8?,9-,10+/m0/s1

InChIKey

YYGADNYACXEHHB-HORUIINNSA-N

Compound name

cis-(1R,2S)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.13068 Da
Monoisotopic Mass: 3.1
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]+	183.137956	139.2
[M+Na]+	205.119898	146.1
[M-H]-	181.123404	145.0
[M+NH4]+	200.164503	153.8
[M+K]+	221.093838	143.4
[M+H-H2O]+	165.127940	133.3
[M+HCOO]-	227.128881	157.4
[M+CH3COO]-	241.144531	184.0
[M+Na-2H]-	203.105346	141.2
[M]+	182.13013142	137.5
[M]-	182.13122858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.