CID 15084875

N-(2-cyanoethyl)acetamide

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(=O)NCCC#N
InChI
InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h2,4H2,1H3,(H,7,8)
InChIKey
BCCCXAYKRGNVFN-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

112.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 122.0
[M+Na]+ 135.052878 130.6
[M-H]- 111.056384 123.0
[M+NH4]+ 130.097483 142.3
[M+K]+ 151.026818 130.8
[M+H-H2O]+ 95.060920 110.8
[M+HCOO]- 157.061861 143.0
[M+CH3COO]- 171.077511 184.7
[M+Na-2H]- 133.038326 128.4
[M]+ 112.06311142 117.2
[M]- 112.06420858 117.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe