CID 102954

3213-73-8

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC1CC(CC(C1)(C)C)CC(=O)O

InChI

InChI=1S/C11H20O2/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h8-9H,4-7H2,1-3H3,(H,12,13)

InChIKey

VXUHWUNUVYCREV-UHFFFAOYSA-N

Compound name

2-(3,3,5-trimethylcyclohexyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 167
Patents: 184.14633 Da
Monoisotopic Mass: 3.4
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]+	185.15361	143.3
[M+Na]+	207.13555	153.3
[M+NH4]+	202.18015	152.7
[M+K]+	223.10949	146.1
[M-H]-	183.13905	144.3
[M+Na-2H]-	205.12100	148.1
[M]+	184.14578	145.0
[M]-	184.14688	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe