CID 350599

2-cyano-n-(prop-2-en-1-yl)acetamide

Structural Information

Molecular Formula
C6H8N2O
SMILES
C=CCNC(=O)CC#N
InChI
InChI=1S/C6H8N2O/c1-2-5-8-6(9)3-4-7/h2H,1,3,5H2,(H,8,9)
InChIKey
MWBQAPDDXDMDKB-UHFFFAOYSA-N
Compound name
2-cyano-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

124.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 125.9
[M+Na]+ 147.05288 134.3
[M-H]- 123.05638 126.7
[M+NH4]+ 142.09748 145.6
[M+K]+ 163.02682 133.7
[M+H-H2O]+ 107.06092 114.5
[M+HCOO]- 169.06186 146.7
[M+CH3COO]- 183.07751 186.6
[M+Na-2H]- 145.03833 131.6
[M]+ 124.06311 120.7
[M]- 124.06421 120.7
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