CID 83225788

1-methoxy-3,5-dimethylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C10H18O3
SMILES
CC1CC(CC(C1)(C(=O)O)OC)C
InChI
InChI=1S/C10H18O3/c1-7-4-8(2)6-10(5-7,13-3)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKey
FWGPCZVRPOMYDY-UHFFFAOYSA-N
Compound name
1-methoxy-3,5-dimethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 140.6
[M+Na]+ 209.11482 146.8
[M-H]- 185.11832 142.7
[M+NH4]+ 204.15942 161.9
[M+K]+ 225.08876 146.2
[M+H-H2O]+ 169.12286 136.5
[M+HCOO]- 231.12380 158.8
[M+CH3COO]- 245.13945 180.8
[M+Na-2H]- 207.10027 143.6
[M]+ 186.12505 138.8
[M]- 186.12615 138.8
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

No patent data available for this compound.