CID 3060305

77945-11-0

Structural Information

Molecular Formula
C10H18O3
SMILES
C1CCC(CC1)(CCO)CC(=O)O
InChI
InChI=1S/C10H18O3/c11-7-6-10(8-9(12)13)4-2-1-3-5-10/h11H,1-8H2,(H,12,13)
InChIKey
GSCCTDBRXKTONO-UHFFFAOYSA-N
Compound name
2-[1-(2-hydroxyethyl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 143.9
[M+Na]+ 209.11482 147.8
[M-H]- 185.11832 143.8
[M+NH4]+ 204.15942 163.8
[M+K]+ 225.08876 146.2
[M+H-H2O]+ 169.12286 139.4
[M+HCOO]- 231.12380 160.6
[M+CH3COO]- 245.13945 175.8
[M+Na-2H]- 207.10027 147.5
[M]+ 186.12505 139.5
[M]- 186.12615 139.5
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.