CID 209096

Benzimidazole, 1-(1-pyrrolidinylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CCN(C1)CN2C=NC3=CC=CC=C32
InChI
InChI=1S/C12H15N3/c1-2-6-12-11(5-1)13-9-15(12)10-14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2
InChIKey
AUKUDHWDLULGGT-UHFFFAOYSA-N
Compound name
1-(pyrrolidin-1-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

201.1266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 143.8
[M+Na]+ 224.115818 152.5
[M-H]- 200.119324 147.6
[M+NH4]+ 219.160423 163.4
[M+K]+ 240.089758 148.9
[M+H-H2O]+ 184.123860 134.9
[M+HCOO]- 246.124801 165.0
[M+CH3COO]- 260.140451 156.6
[M+Na-2H]- 222.101266 148.3
[M]+ 201.12605142 143.2
[M]- 201.12714858 143.2
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