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

2
Patents

172.07489 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08217 136.8
[M+Na]+ 195.06411 149.8
[M-H]- 171.06761 138.1
[M+NH4]+ 190.10871 155.0
[M+K]+ 211.03805 145.0
[M+H-H2O]+ 155.07215 122.9
[M+HCOO]- 217.07309 157.0
[M+CH3COO]- 231.08874 149.2
[M+Na-2H]- 193.04956 142.8
[M]+ 172.07434 132.5
[M]- 172.07544 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