CID 3056310

1,3-benzimidazolinediacetonitrile, 2-oxo-

Structural Information

Molecular Formula
C11H8N4O
SMILES
C1=CC=C2C(=C1)N(C(=O)N2CC#N)CC#N
InChI
InChI=1S/C11H8N4O/c12-5-7-14-9-3-1-2-4-10(9)15(8-6-13)11(14)16/h1-4H,7-8H2
InChIKey
XYIWKBZRNPTHHM-UHFFFAOYSA-N
Compound name
2-[3-(cyanomethyl)-2-oxobenzimidazol-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06981 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07709 171.2
[M+Na]+ 235.05903 180.8
[M+NH4]+ 230.10363 171.5
[M+K]+ 251.03297 170.9
[M-H]- 211.06253 160.5
[M+Na-2H]- 233.04448 170.2
[M]+ 212.06926 168.2
[M]- 212.07036 168.2
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

No patent data available for this compound.