CID 20455

4414-88-4

Structural Information

Molecular Formula
C9H7N3
SMILES
C1=CC=C2C(=C1)NC(=N2)CC#N
InChI
InChI=1S/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12)
InChIKey
BWOVACANEIVHST-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

740
Patents

157.064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07128 135.0
[M+Na]+ 180.05322 148.1
[M+NH4]+ 175.09782 140.2
[M+K]+ 196.02716 139.6
[M-H]- 156.05672 128.9
[M+Na-2H]- 178.03867 139.3
[M]+ 157.06345 134.3
[M]- 157.06455 134.3
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