CID 710552

N-cyano-2-methylbenzamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=CC=CC=C1C(=O)NC#N
InChI
InChI=1S/C9H8N2O/c1-7-4-2-3-5-8(7)9(12)11-6-10/h2-5H,1H3,(H,11,12)
InChIKey
OARPGCYYKTZRCW-UHFFFAOYSA-N
Compound name
N-cyano-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
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

literature stripe

Patent stripe

patents stripe