CID 5067771

16603-40-0

Structural Information

Molecular Formula
C4H9NO3
SMILES
CCC(C(=O)O)NO
InChI
InChI=1S/C4H9NO3/c1-2-3(5-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)
InChIKey
HECDBQWSOGTQMT-UHFFFAOYSA-N
Compound name
2-(hydroxyamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

119.05824 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 123.4
[M+Na]+ 142.047458 129.4
[M-H]- 118.050964 121.1
[M+NH4]+ 137.092063 143.9
[M+K]+ 158.021398 129.5
[M+H-H2O]+ 102.055500 118.9
[M+HCOO]- 164.056441 144.7
[M+CH3COO]- 178.072091 167.5
[M+Na-2H]- 140.032906 128.0
[M]+ 119.05769142 121.5
[M]- 119.05878858 121.5
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