CID 75820

N-((dimethylamino)methyl)acrylamide

Structural Information

Molecular Formula
C6H12N2O
SMILES
CN(C)CNC(=O)C=C
InChI
InChI=1S/C6H12N2O/c1-4-6(9)7-5-8(2)3/h4H,1,5H2,2-3H3,(H,7,9)
InChIKey
OOUWNHAYYDNAOD-UHFFFAOYSA-N
Compound name
N-[(dimethylamino)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1883
Patents

128.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 127.9
[M+Na]+ 151.084178 134.0
[M-H]- 127.087684 129.7
[M+NH4]+ 146.128783 150.1
[M+K]+ 167.058118 134.8
[M+H-H2O]+ 111.092220 122.5
[M+HCOO]- 173.093161 153.8
[M+CH3COO]- 187.108811 180.6
[M+Na-2H]- 149.069626 133.3
[M]+ 128.09441142 128.1
[M]- 128.09550858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe