CID 84767207

6-(aminomethyl)-1-methyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C9H12N4
SMILES
CN1C2=C(C=CC(=C2)CN)N=C1N
InChI
InChI=1S/C9H12N4/c1-13-8-4-6(5-10)2-3-7(8)12-9(13)11/h2-4H,5,10H2,1H3,(H2,11,12)
InChIKey
JLFWMQBIOVCIDR-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 135.9
[M+Na]+ 199.095418 147.0
[M-H]- 175.098924 138.3
[M+NH4]+ 194.140023 156.1
[M+K]+ 215.069358 143.1
[M+H-H2O]+ 159.103460 128.9
[M+HCOO]- 221.104401 160.9
[M+CH3COO]- 235.120051 149.8
[M+Na-2H]- 197.080866 142.5
[M]+ 176.10565142 135.7
[M]- 176.10674858 135.7
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.