CID 4145140

3-hydroxypropanamide

Structural Information

Molecular Formula
C3H7NO2
SMILES
C(CO)C(=O)N
InChI
InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)
InChIKey
SMGLHFBQMBVRCP-UHFFFAOYSA-N
Compound name
3-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3375
Patents

89.047676 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.054952 115.3
[M+Na]+ 112.03689 122.5
[M-H]- 88.040400 114.1
[M+NH4]+ 107.08150 137.7
[M+K]+ 128.01083 122.5
[M+H-H2O]+ 72.044936 111.1
[M+HCOO]- 134.04588 138.6
[M+CH3COO]- 148.06153 163.4
[M+Na-2H]- 110.02234 121.2
[M]+ 89.047127 113.2
[M]- 89.048225 113.2
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