CID 13368156

1-amino-4-hydroxybutan-2-one

Structural Information

Molecular Formula
C4H9NO2
SMILES
C(CO)C(=O)CN
InChI
InChI=1S/C4H9NO2/c5-3-4(7)1-2-6/h6H,1-3,5H2
InChIKey
NHIYVTWYOQHMTG-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

103.06333 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.9
[M+Na]+ 126.052548 126.7
[M-H]- 102.056054 118.6
[M+NH4]+ 121.097153 141.7
[M+K]+ 142.026488 126.4
[M+H-H2O]+ 86.060590 115.5
[M+HCOO]- 148.061531 142.9
[M+CH3COO]- 162.077181 166.4
[M+Na-2H]- 124.037996 125.3
[M]+ 103.06278142 118.2
[M]- 103.06387858 118.2
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