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

19592
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 118.3
[M+Na]+ 122.05763 125.8
[M-H]- 98.061134 120.5
[M+NH4]+ 117.10223 142.1
[M+K]+ 138.03157 126.9
[M+H-H2O]+ 82.065670 113.8
[M+HCOO]- 144.06661 143.7
[M+CH3COO]- 158.08226 172.8
[M+Na-2H]- 120.04308 124.3
[M]+ 99.067861 119.0
[M]- 99.068959 119.0
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