CID 69653

N-allylacetamide

Structural Information

Molecular Formula
C5H9NO
SMILES
CC(=O)NCC=C
InChI
InChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3H,1,4H2,2H3,(H,6,7)
InChIKey
DVQCXAUFUOFSDW-UHFFFAOYSA-N
Compound name
N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2504
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 119.0
[M+Na]+ 122.05763 126.2
[M-H]- 98.061134 119.6
[M+NH4]+ 117.10223 142.1
[M+K]+ 138.03157 126.0
[M+H-H2O]+ 82.065670 114.6
[M+HCOO]- 144.06661 143.8
[M+CH3COO]- 158.08226 169.1
[M+Na-2H]- 120.04308 125.7
[M]+ 99.067861 118.4
[M]- 99.068959 118.4
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