CID 43

2-hydroxyglutaric acid

Structural Information

Molecular Formula
C5H8O5
SMILES
C(CC(=O)O)C(C(=O)O)O
InChI
InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKey
HWXBTNAVRSUOJR-UHFFFAOYSA-N
Compound name
2-hydroxypentanedioic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

747
References

17723
Patents

148.03717 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04445 128.3
[M+Na]+ 171.02639 134.3
[M-H]- 147.02989 124.5
[M+NH4]+ 166.07099 147.0
[M+K]+ 187.00033 134.2
[M+H-H2O]+ 131.03443 124.0
[M+HCOO]- 193.03537 146.4
[M+CH3COO]- 207.05102 167.4
[M+Na-2H]- 169.01184 130.5
[M]+ 148.03662 127.3
[M]- 148.03772 127.3
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

patents stripe