CID 192742

2,4-dihydroxybutanoic acid

Structural Information

Molecular Formula
C4H8O4
SMILES
C(CO)C(C(=O)O)O
InChI
InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
InChIKey
UFYGCFHQAXXBCF-UHFFFAOYSA-N
Compound name
2,4-dihydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1374
Patents

120.04226 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04954 122.7
[M+Na]+ 143.03148 129.2
[M-H]- 119.03498 119.1
[M+NH4]+ 138.07608 142.8
[M+K]+ 159.00542 128.9
[M+H-H2O]+ 103.03952 118.8
[M+HCOO]- 165.04046 141.7
[M+CH3COO]- 179.05611 162.1
[M+Na-2H]- 141.01693 126.6
[M]+ 120.04171 121.2
[M]- 120.04281 121.2
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