CID 96685

2-benzimidazolecarbamonitrile

Structural Information

Molecular Formula
C8H6N4
SMILES
C1=CC=C2C(=C1)NC(=N2)NC#N
InChI
InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)
InChIKey
NYLIXUBOFQIMGV-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

158.05925 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 132.4
[M+Na]+ 181.04847 143.8
[M-H]- 157.05197 132.4
[M+NH4]+ 176.09307 150.1
[M+K]+ 197.02241 138.6
[M+H-H2O]+ 141.05651 118.3
[M+HCOO]- 203.05745 152.2
[M+CH3COO]- 217.07310 144.1
[M+Na-2H]- 179.03392 140.8
[M]+ 158.05870 126.4
[M]- 158.05980 126.4
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