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
4
Annotation Hits

50
References

85732
Patents

101.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 118.9
[M+Na]+ 124.03689 127.8
[M+NH4]+ 119.08150 125.9
[M+K]+ 140.01083 123.7
[M-H]- 100.04040 117.5
[M+Na-2H]- 122.02234 122.0
[M]+ 101.04713 119.3
[M]- 101.04822 119.3
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