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
1
Annotation Hits

7
References

796
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 122.5
[M+Na]+ 143.03148 130.3
[M+NH4]+ 138.07608 128.3
[M+K]+ 159.00542 128.4
[M-H]- 119.03498 118.8
[M+Na-2H]- 141.01693 123.6
[M]+ 120.04171 122.0
[M]- 120.04281 122.0
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