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]+ 203.12779 145.8
[M+Na]+ 225.10973 149.6
[M-H]- 201.11323 144.5
[M+NH4]+ 220.15433 162.6
[M+K]+ 241.08367 147.9
[M+H-H2O]+ 185.11777 141.3
[M+HCOO]- 247.11871 159.6
[M+CH3COO]- 261.13436 177.5
[M+Na-2H]- 223.09518 148.1
[M]+ 202.11996 140.6
[M]- 202.12106 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.