CID 18530

N-methyl-n-vinylacetamide

Structural Information

Molecular Formula
C5H9NO
SMILES
CC(=O)N(C)C=C
InChI
InChI=1S/C5H9NO/c1-4-6(3)5(2)7/h4H,1H2,2-3H3
InChIKey
PNLUGRYDUHRLOF-UHFFFAOYSA-N
Compound name
N-ethenyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

14714
Patents

99.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.8
[M+Na]+ 122.05763 129.9
[M+NH4]+ 117.10223 127.9
[M+K]+ 138.03157 125.2
[M-H]- 98.061134 119.9
[M+Na-2H]- 120.04308 124.1
[M]+ 99.067861 121.0
[M]- 99.068959 121.0
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