CID 102954

Cyclohexaneacetic acid, 3,3,5-trimethyl-

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
3
Annotation Hits

0
References

190
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 142.1
[M+Na]+ 207.135548 148.0
[M-H]- 183.139054 144.0
[M+NH4]+ 202.180153 163.6
[M+K]+ 223.109488 146.6
[M+H-H2O]+ 167.143590 138.0
[M+HCOO]- 229.144531 159.8
[M+CH3COO]- 243.160181 181.7
[M+Na-2H]- 205.120996 144.5
[M]+ 184.14578142 139.2
[M]- 184.14687858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe