CID 75953

1h-benzimidazole-2-acetonitrile, 1-methyl-

Structural Information

Molecular Formula
C10H9N3
SMILES
CN1C2=CC=CC=C2N=C1CC#N
InChI
InChI=1S/C10H9N3/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3
InChIKey
DYWFJPNNNWXOAK-UHFFFAOYSA-N
Compound name
2-(1-methylbenzimidazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

51
Patents

171.07965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 135.3
[M+Na]+ 194.068868 148.1
[M-H]- 170.072374 136.7
[M+NH4]+ 189.113473 153.9
[M+K]+ 210.042808 143.1
[M+H-H2O]+ 154.076910 121.3
[M+HCOO]- 216.077851 155.0
[M+CH3COO]- 230.093501 147.9
[M+Na-2H]- 192.054316 142.2
[M]+ 171.07910142 132.6
[M]- 171.08019858 132.6
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