CID 18405703

1-(methoxymethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
COCC1(CCCCC1)C(=O)O
InChI
InChI=1S/C9H16O3/c1-12-7-9(8(10)11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,11)
InChIKey
OLRBFBRCLMFLBD-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

172.10994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.5
[M+Na]+ 195.099158 143.3
[M-H]- 171.102664 140.0
[M+NH4]+ 190.143763 159.7
[M+K]+ 211.073098 142.8
[M+H-H2O]+ 155.107200 133.9
[M+HCOO]- 217.108141 157.1
[M+CH3COO]- 231.123791 175.4
[M+Na-2H]- 193.084606 143.2
[M]+ 172.10939142 135.6
[M]- 172.11048858 135.6
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