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]+ 203.12779 145.2
[M+Na]+ 225.10973 149.4
[M-H]- 201.11323 146.4
[M+NH4]+ 220.15433 163.3
[M+K]+ 241.08367 149.0
[M+H-H2O]+ 185.11777 139.4
[M+HCOO]- 247.11871 163.6
[M+CH3COO]- 261.13436 182.1
[M+Na-2H]- 223.09518 147.5
[M]+ 202.11996 144.1
[M]- 202.12106 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