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]+ 177.11348 135.9
[M+Na]+ 199.09542 147.0
[M-H]- 175.09892 138.3
[M+NH4]+ 194.14002 156.1
[M+K]+ 215.06936 143.1
[M+H-H2O]+ 159.10346 128.9
[M+HCOO]- 221.10440 160.9
[M+CH3COO]- 235.12005 149.8
[M+Na-2H]- 197.08087 142.5
[M]+ 176.10565 135.7
[M]- 176.10675 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.