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

593
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 123.1
[M+Na]+ 138.05255 132.4
[M+NH4]+ 133.09715 130.5
[M+K]+ 154.02649 129.0
[M-H]- 114.05605 122.4
[M+Na-2H]- 136.03800 126.5
[M]+ 115.06278 123.9
[M]- 115.06388 123.9
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