CID 2149

4-amino-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H9NO3
SMILES
C(C(CN)O)C(=O)O
InChI
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
InChIKey
YQGDEPYYFWUPGO-UHFFFAOYSA-N
Compound name
4-amino-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

79
References

5479
Patents

119.05824 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 123.8
[M+Na]+ 142.047458 129.9
[M-H]- 118.050964 121.1
[M+NH4]+ 137.092063 144.1
[M+K]+ 158.021398 129.6
[M+H-H2O]+ 102.055500 119.3
[M+HCOO]- 164.056441 144.5
[M+CH3COO]- 178.072091 166.9
[M+Na-2H]- 140.032906 127.3
[M]+ 119.05769142 120.9
[M]- 119.05878858 120.9
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