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

110
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 117.7
[M+Na]+ 121.03723 126.6
[M-H]- 97.040734 118.8
[M+NH4]+ 116.08183 138.4
[M+K]+ 137.01117 127.0
[M+H-H2O]+ 81.045270 106.6
[M+HCOO]- 143.04621 139.0
[M+CH3COO]- 157.06186 182.6
[M+Na-2H]- 119.02268 124.5
[M]+ 98.047461 112.6
[M]- 98.048559 112.6
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