CID 25218854

N-methyl-1-(5-methyl-1h-benzimidazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C10H13N3
SMILES
CC1=CC2=C(C=C1)N=C(N2)CNC
InChI
InChI=1S/C10H13N3/c1-7-3-4-8-9(5-7)13-10(12-8)6-11-2/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKey
CPBXKMCOBFSSIA-UHFFFAOYSA-N
Compound name
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

175.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 136.4
[M+Na]+ 198.100168 146.5
[M-H]- 174.103674 137.8
[M+NH4]+ 193.144773 156.5
[M+K]+ 214.074108 142.3
[M+H-H2O]+ 158.108210 129.5
[M+HCOO]- 220.109151 159.8
[M+CH3COO]- 234.124801 149.9
[M+Na-2H]- 196.085616 144.3
[M]+ 175.11040142 137.0
[M]- 175.11149858 137.0
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