CID 13697885

2-(1-methylcyclohexyl)acetic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(CCCCC1)CC(=O)O
InChI
InChI=1S/C9H16O2/c1-9(7-8(10)11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,11)
InChIKey
LTBPRPATSZONGJ-UHFFFAOYSA-N
Compound name
2-(1-methylcyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

156.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.2
[M+Na]+ 179.10426 145.8
[M+NH4]+ 174.14886 145.8
[M+K]+ 195.07820 138.6
[M-H]- 155.10776 137.1
[M+Na-2H]- 177.08971 141.8
[M]+ 156.11449 137.7
[M]- 156.11559 137.7
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