CID 354969

N-(cyanomethyl)acetamide

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC(=O)NCC#N
InChI
InChI=1S/C4H6N2O/c1-4(7)6-3-2-5/h3H2,1H3,(H,6,7)
InChIKey
LHWCUMYXUCPQSZ-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

98.04801 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 120.8
[M+Na]+ 121.03723 130.1
[M+NH4]+ 116.08183 125.1
[M+K]+ 137.01117 122.5
[M-H]- 97.040734 113.5
[M+Na-2H]- 119.02268 122.7
[M]+ 98.047461 118.9
[M]- 98.048559 118.9
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