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

32
Patents

175.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 136.4
[M+Na]+ 198.10017 146.5
[M-H]- 174.10367 137.8
[M+NH4]+ 193.14477 156.5
[M+K]+ 214.07411 142.3
[M+H-H2O]+ 158.10821 129.5
[M+HCOO]- 220.10915 159.8
[M+CH3COO]- 234.12480 149.9
[M+Na-2H]- 196.08562 144.3
[M]+ 175.11040 137.0
[M]- 175.11150 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