CID 23146282

1-[(pyrrolidin-2-yl)methyl]-1h-1,3-benzodiazole dihydrochloride

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC(NC1)CN2C=NC3=CC=CC=C32
InChI
InChI=1S/C12H15N3/c1-2-6-12-11(5-1)14-9-15(12)8-10-4-3-7-13-10/h1-2,5-6,9-10,13H,3-4,7-8H2
InChIKey
YYMMLBJLAJXWNW-UHFFFAOYSA-N
Compound name
1-(pyrrolidin-2-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

201.1266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 144.1
[M+Na]+ 224.115818 152.3
[M-H]- 200.119324 146.5
[M+NH4]+ 219.160423 162.9
[M+K]+ 240.089758 147.8
[M+H-H2O]+ 184.123860 135.5
[M+HCOO]- 246.124801 163.7
[M+CH3COO]- 260.140451 156.2
[M+Na-2H]- 222.101266 148.1
[M]+ 201.12605142 141.6
[M]- 201.12714858 141.6
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