CID 231827

2-cyano-2-methylacetamide

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC(C#N)C(=O)N
InChI
InChI=1S/C4H6N2O/c1-3(2-5)4(6)7/h3H,1H3,(H2,6,7)
InChIKey
DASYJICSSLWYAG-UHFFFAOYSA-N
Compound name
2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

98.04801 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 120.0
[M+Na]+ 121.03723 128.6
[M-H]- 97.040734 120.7
[M+NH4]+ 116.08183 140.3
[M+K]+ 137.01117 129.1
[M+H-H2O]+ 81.045270 108.9
[M+HCOO]- 143.04621 139.7
[M+CH3COO]- 157.06186 182.7
[M+Na-2H]- 119.02268 124.5
[M]+ 98.047461 113.3
[M]- 98.048559 113.3
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