CID 26062

13477-53-7

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1328
Patents

119.05824 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 123.8
[M+Na]+ 142.04746 129.9
[M-H]- 118.05096 121.1
[M+NH4]+ 137.09206 144.1
[M+K]+ 158.02140 129.6
[M+H-H2O]+ 102.05550 119.3
[M+HCOO]- 164.05644 144.5
[M+CH3COO]- 178.07209 166.9
[M+Na-2H]- 140.03291 127.3
[M]+ 119.05769 120.9
[M]- 119.05879 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