CID 13543

N-(hydroxymethyl)acrylamide

Structural Information

Molecular Formula
C4H7NO2
SMILES
C=CC(=O)NCO
InChI
InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)
InChIKey
CNCOEDDPFOAUMB-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

50
References

108563
Patents

101.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.054952 118.2
[M+Na]+ 124.036894 125.4
[M-H]- 100.040400 117.5
[M+NH4]+ 119.081499 140.4
[M+K]+ 140.010834 124.8
[M+H-H2O]+ 84.044936 113.9
[M+HCOO]- 146.045877 142.0
[M+CH3COO]- 160.061527 165.4
[M+Na-2H]- 122.022342 124.7
[M]+ 101.04712742 116.7
[M]- 101.04822458 116.7
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