CID 176472490

4-(oxiran-2-ylmethoxymethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C11H18O4
SMILES
C1CC(CCC1COCC2CO2)C(=O)O
InChI
InChI=1S/C11H18O4/c12-11(13)9-3-1-8(2-4-9)5-14-6-10-7-15-10/h8-10H,1-7H2,(H,12,13)
InChIKey
FJVLCWHDKQSMKH-UHFFFAOYSA-N
Compound name
4-(oxiran-2-ylmethoxymethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 146.7
[M+Na]+ 237.109728 152.7
[M-H]- 213.113234 152.7
[M+NH4]+ 232.154333 158.3
[M+K]+ 253.083668 151.9
[M+H-H2O]+ 197.117770 140.0
[M+HCOO]- 259.118711 164.3
[M+CH3COO]- 273.134361 186.9
[M+Na-2H]- 235.095176 150.3
[M]+ 214.11996142 148.1
[M]- 214.12105858 148.1
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.