CID 154534

141691-41-0

Structural Information

Molecular Formula
C9H8N4
SMILES
CN1C2=C(C=C(C=C2)C#N)N=C1N
InChI
InChI=1S/C9H8N4/c1-13-8-3-2-6(5-10)4-7(8)12-9(13)11/h2-4H,1H3,(H2,11,12)
InChIKey
VWOBVMUYALAJKO-UHFFFAOYSA-N
Compound name
2-amino-1-methylbenzimidazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.07489 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.082166 136.8
[M+Na]+ 195.064108 149.8
[M-H]- 171.067614 138.1
[M+NH4]+ 190.108713 155.0
[M+K]+ 211.038048 145.0
[M+H-H2O]+ 155.072150 122.9
[M+HCOO]- 217.073091 157.0
[M+CH3COO]- 231.088741 149.2
[M+Na-2H]- 193.049556 142.8
[M]+ 172.07434142 132.5
[M]- 172.07543858 132.5
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