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
1
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]+ 203.12779 145.0
[M+Na]+ 225.10973 152.2
[M+NH4]+ 220.15433 150.9
[M+K]+ 241.08367 149.7
[M-H]- 201.11323 143.1
[M+Na-2H]- 223.09518 146.4
[M]+ 202.11996 145.0
[M]- 202.12106 145.0
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.