CID 17587

N,n-dimethylacrylamide

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

282
References

116133
Patents

99.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 118.3
[M+Na]+ 122.057628 125.8
[M-H]- 98.061134 120.5
[M+NH4]+ 117.102233 142.1
[M+K]+ 138.031568 126.9
[M+H-H2O]+ 82.065670 113.8
[M+HCOO]- 144.066611 143.7
[M+CH3COO]- 158.082261 172.8
[M+Na-2H]- 120.043076 124.3
[M]+ 99.06786142 119.0
[M]- 99.06895858 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