CID 14214

N-methyldiacetamide

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC(=O)N(C)C(=O)C
InChI
InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3
InChIKey
ZNQFZPCFVNOXJQ-UHFFFAOYSA-N
Compound name
N-acetyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1027
Patents

115.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.6
[M+Na]+ 138.052548 128.9
[M-H]- 114.056054 123.8
[M+NH4]+ 133.097153 144.7
[M+K]+ 154.026488 130.9
[M+H-H2O]+ 98.060590 117.0
[M+HCOO]- 160.061531 146.2
[M+CH3COO]- 174.077181 175.0
[M+Na-2H]- 136.037996 126.3
[M]+ 115.06278142 123.0
[M]- 115.06387858 123.0
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