CID 14471

N-methylacrylamide

Structural Information

Molecular Formula
C4H7NO
SMILES
CNC(=O)C=C
InChI
InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)
InChIKey
YPHQUSNPXDGUHL-UHFFFAOYSA-N
Compound name
N-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

64597
Patents

85.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 114.4
[M+Na]+ 108.041983 122.0
[M-H]- 84.045489 115.2
[M+NH4]+ 103.086588 138.0
[M+K]+ 124.015923 122.0
[M+H-H2O]+ 68.050025 110.2
[M+HCOO]- 130.050966 139.5
[M+CH3COO]- 144.066616 166.1
[M+Na-2H]- 106.027431 121.5
[M]+ 85.05221642 113.4
[M]- 85.05331358 113.4
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