CID 3538910

N-(o-tolyl)cyanoformamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=CC=CC=C1NC(=O)C#N
InChI
InChI=1S/C9H8N2O/c1-7-4-2-3-5-8(7)11-9(12)6-10/h2-5H,1H3,(H,11,12)
InChIKey
QJPIFJBLNIIPIJ-UHFFFAOYSA-N
Compound name
1-cyano-N-(2-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

160.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 136.7
[M+Na]+ 183.05288 148.1
[M+NH4]+ 178.09748 141.4
[M+K]+ 199.02682 139.0
[M-H]- 159.05638 131.7
[M+Na-2H]- 181.03833 140.9
[M]+ 160.06311 135.9
[M]- 160.06421 135.9
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