CID 75422301

2-amino-1-methyl-1h-1,3-benzodiazole-4-carbonitrile

Structural Information

Molecular Formula
C9H8N4
SMILES
CN1C2=CC=CC(=C2N=C1N)C#N
InChI
InChI=1S/C9H8N4/c1-13-7-4-2-3-6(5-10)8(7)12-9(13)11/h2-4H,1H3,(H2,11,12)
InChIKey
CBFUQOZEBASVOV-UHFFFAOYSA-N
Compound name
2-amino-1-methylbenzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08217 137.8
[M+Na]+ 195.06411 150.7
[M+NH4]+ 190.10871 142.7
[M+K]+ 211.03805 142.9
[M-H]- 171.06761 132.4
[M+Na-2H]- 193.04956 141.6
[M]+ 172.07434 137.2
[M]- 172.07544 137.2
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.