CID 3015373

N-(1-cyanoethyl)formamide

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC(C#N)NC=O
InChI
InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)
InChIKey
ONONIESHMTZAKB-UHFFFAOYSA-N
Compound name
N-(1-cyanoethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

98.04801 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 120.6
[M+Na]+ 121.03723 129.9
[M+NH4]+ 116.08183 125.0
[M+K]+ 137.01117 122.3
[M-H]- 97.040734 113.3
[M+Na-2H]- 119.02268 122.5
[M]+ 98.047461 118.8
[M]- 98.048559 118.8
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