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

48
Patents

201.1266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 143.8
[M+Na]+ 224.11582 152.5
[M-H]- 200.11932 147.6
[M+NH4]+ 219.16042 163.4
[M+K]+ 240.08976 148.9
[M+H-H2O]+ 184.12386 134.9
[M+HCOO]- 246.12480 165.0
[M+CH3COO]- 260.14045 156.6
[M+Na-2H]- 222.10127 148.3
[M]+ 201.12605 143.2
[M]- 201.12715 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