CID 962525

2-pyrrolidin-2-yl-1h-benzimidazole dihydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
C1C[C@@H](NC1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C11H13N3/c1-2-5-9-8(4-1)13-11(14-9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2,(H,13,14)/t10-/m1/s1
InChIKey
FHGVBMUGKDNVNB-SNVBAGLBSA-N
Compound name
2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

57
Patents

187.11095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.5
[M+Na]+ 210.10017 152.7
[M+NH4]+ 205.14477 149.0
[M+K]+ 226.07411 149.7
[M-H]- 186.10367 142.3
[M+Na-2H]- 208.08562 147.0
[M]+ 187.11040 142.5
[M]- 187.11150 142.5
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