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

127
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]+ 121.037228 126.6
[M-H]- 97.040734 118.8
[M+NH4]+ 116.081833 138.4
[M+K]+ 137.011168 127.0
[M+H-H2O]+ 81.045270 106.6
[M+HCOO]- 143.046211 139.0
[M+CH3COO]- 157.061861 182.6
[M+Na-2H]- 119.022676 124.5
[M]+ 98.04746142 112.6
[M]- 98.04855858 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