CID 13011233

2-(4-methyl-1h-1,3-benzodiazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C10H9N3
SMILES
CC1=C2C(=CC=C1)NC(=N2)CC#N
InChI
InChI=1S/C10H9N3/c1-7-3-2-4-8-10(7)13-9(12-8)5-6-11/h2-4H,5H2,1H3,(H,12,13)
InChIKey
XSQOQQAZUCYJKU-UHFFFAOYSA-N
Compound name
2-(4-methyl-1H-benzimidazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

171.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 136.8
[M+Na]+ 194.068868 149.2
[M-H]- 170.072374 137.0
[M+NH4]+ 189.113473 154.8
[M+K]+ 210.042808 143.5
[M+H-H2O]+ 154.076910 123.1
[M+HCOO]- 216.077851 155.1
[M+CH3COO]- 230.093501 148.7
[M+Na-2H]- 192.054316 143.2
[M]+ 171.07910142 132.4
[M]- 171.08019858 132.4
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

patents stripe