CID 17688426

935873-39-5

Structural Information

Molecular Formula
C8H9N3
SMILES
CC1=C(C2=C(C=C1)NC=N2)N
InChI
InChI=1S/C8H9N3/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,9H2,1H3,(H,10,11)
InChIKey
BQHSHBQZSZIJPC-UHFFFAOYSA-N
Compound name
5-methyl-1H-benzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

147.07965 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 127.6
[M+Na]+ 170.06887 138.7
[M-H]- 146.07237 128.8
[M+NH4]+ 165.11347 148.6
[M+K]+ 186.04281 134.5
[M+H-H2O]+ 130.07691 121.2
[M+HCOO]- 192.07785 151.0
[M+CH3COO]- 206.09350 141.8
[M+Na-2H]- 168.05432 135.6
[M]+ 147.07910 126.5
[M]- 147.08020 126.5
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