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

45
Patents

172.10994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 138.5
[M+Na]+ 195.09916 143.3
[M-H]- 171.10266 140.0
[M+NH4]+ 190.14376 159.7
[M+K]+ 211.07310 142.8
[M+H-H2O]+ 155.10720 133.9
[M+HCOO]- 217.10814 157.1
[M+CH3COO]- 231.12379 175.4
[M+Na-2H]- 193.08461 143.2
[M]+ 172.10939 135.6
[M]- 172.11049 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