CID 59419718

4-methoxy-1-methylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CCC(CC1)OC)C(=O)O
InChI
InChI=1S/C9H16O3/c1-9(8(10)11)5-3-7(12-2)4-6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
SGLPKMBIHAOCST-UHFFFAOYSA-N
Compound name
4-methoxy-1-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.3
[M+Na]+ 195.099158 143.0
[M-H]- 171.102664 139.2
[M+NH4]+ 190.143763 158.9
[M+K]+ 211.073098 142.6
[M+H-H2O]+ 155.107200 133.1
[M+HCOO]- 217.108141 155.9
[M+CH3COO]- 231.123791 176.5
[M+Na-2H]- 193.084606 141.4
[M]+ 172.10939142 134.8
[M]- 172.11048858 134.8
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