CID 84805

N-cyanobenzamide

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC=C(C=C1)C(=O)NC#N
InChI
InChI=1S/C8H6N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-5H,(H,10,11)
InChIKey
DBFAKALHTSOYSG-UHFFFAOYSA-N
Compound name
N-cyanobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

409
Patents

146.04802 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 132.5
[M+Na]+ 169.03724 141.6
[M-H]- 145.04074 135.7
[M+NH4]+ 164.08184 151.2
[M+K]+ 185.01118 139.1
[M+H-H2O]+ 129.04528 120.1
[M+HCOO]- 191.04622 153.9
[M+CH3COO]- 205.06187 188.5
[M+Na-2H]- 167.02269 139.4
[M]+ 146.04747 126.2
[M]- 146.04857 126.2
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