CID 13928743

4,4-dimethylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(CCC(CC1)C(=O)O)C
InChI
InChI=1S/C9H16O2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
KFFJRQIEECCAQS-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

156.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 134.3
[M+Na]+ 179.104258 140.1
[M-H]- 155.107764 136.3
[M+NH4]+ 174.148863 156.6
[M+K]+ 195.078198 139.2
[M+H-H2O]+ 139.112300 130.3
[M+HCOO]- 201.113241 152.7
[M+CH3COO]- 215.128891 174.5
[M+Na-2H]- 177.089706 138.4
[M]+ 156.11449142 130.3
[M]- 156.11558858 130.3
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