CID 56622042

4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
COCCOC1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H18O4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKey
CEMIQXJQJBRGKY-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 145.2
[M+Na]+ 225.109728 149.4
[M-H]- 201.113234 146.4
[M+NH4]+ 220.154333 163.3
[M+K]+ 241.083668 149.0
[M+H-H2O]+ 185.117770 139.4
[M+HCOO]- 247.118711 163.6
[M+CH3COO]- 261.134361 182.1
[M+Na-2H]- 223.095176 147.5
[M]+ 202.11996142 144.1
[M]- 202.12105858 144.1
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

patents stripe