CID 3151735

3-(1-methyl-1h-1,3-benzodiazol-2-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H15N3
SMILES
CN1C2=CC=CC=C2N=C1CCCN
InChI
InChI=1S/C11H15N3/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12/h2-3,5-6H,4,7-8,12H2,1H3
InChIKey
IPIKWNHOWCSDJF-UHFFFAOYSA-N
Compound name
3-(1-methylbenzimidazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.1266 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.133876 141.1
[M+Na]+ 212.115818 151.2
[M-H]- 188.119324 143.1
[M+NH4]+ 207.160423 161.1
[M+K]+ 228.089758 147.2
[M+H-H2O]+ 172.123860 133.7
[M+HCOO]- 234.124801 165.0
[M+CH3COO]- 248.140451 186.3
[M+Na-2H]- 210.101266 147.8
[M]+ 189.12605142 142.8
[M]- 189.12714858 142.8
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