CID 6582

N-methylacetamide

Structural Information

Molecular Formula
C3H7NO
SMILES
CC(=O)NC
InChI
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
InChIKey
OHLUUHNLEMFGTQ-UHFFFAOYSA-N
Compound name
N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

774
References

102166
Patents

73.052765 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.060041 111.2
[M+Na]+ 96.041983 119.0
[M-H]- 72.045489 112.2
[M+NH4]+ 91.086588 135.4
[M+K]+ 112.01592 119.9
[M+H-H2O]+ 56.050025 107.2
[M+HCOO]- 118.05097 136.5
[M+CH3COO]- 132.06662 164.0
[M+Na-2H]- 94.027431 118.9
[M]+ 73.052216 110.6
[M]- 73.053314 110.6
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