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]+ 104.07061 119.9
[M+Na]+ 126.05255 126.7
[M-H]- 102.05605 118.6
[M+NH4]+ 121.09715 141.7
[M+K]+ 142.02649 126.4
[M+H-H2O]+ 86.060590 115.5
[M+HCOO]- 148.06153 142.9
[M+CH3COO]- 162.07718 166.4
[M+Na-2H]- 124.03800 125.3
[M]+ 103.06278 118.2
[M]- 103.06388 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.