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
2
Annotation Hits

2
References

868
Patents

115.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.6
[M+Na]+ 138.05255 128.9
[M-H]- 114.05605 123.8
[M+NH4]+ 133.09715 144.7
[M+K]+ 154.02649 130.9
[M+H-H2O]+ 98.060590 117.0
[M+HCOO]- 160.06153 146.2
[M+CH3COO]- 174.07718 175.0
[M+Na-2H]- 136.03800 126.3
[M]+ 115.06278 123.0
[M]- 115.06388 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