CID 169501840

2-hydroxy-3-(3-hydroxycyclohexyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(CC1CCCC(C1)O)(C(=O)O)O
InChI
InChI=1S/C10H18O4/c1-10(14,9(12)13)6-7-3-2-4-8(11)5-7/h7-8,11,14H,2-6H2,1H3,(H,12,13)
InChIKey
JFXOZYSYCDLHKK-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(3-hydroxycyclohexyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 145.8
[M+Na]+ 225.109728 149.6
[M-H]- 201.113234 144.5
[M+NH4]+ 220.154333 162.6
[M+K]+ 241.083668 147.9
[M+H-H2O]+ 185.117770 141.3
[M+HCOO]- 247.118711 159.6
[M+CH3COO]- 261.134361 177.5
[M+Na-2H]- 223.095176 148.1
[M]+ 202.11996142 140.6
[M]- 202.12105858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.