CID 62329136

1-(pyrrolidin-3-yl)-1h-1,3-benzodiazole dihydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
C1CNCC1N2C=NC3=CC=CC=C32
InChI
InChI=1S/C11H13N3/c1-2-4-11-10(3-1)13-8-14(11)9-5-6-12-7-9/h1-4,8-9,12H,5-7H2
InChIKey
MAECDRNAUKPMLA-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 139.5
[M+Na]+ 210.100168 148.3
[M-H]- 186.103674 142.2
[M+NH4]+ 205.144773 159.0
[M+K]+ 226.074108 144.0
[M+H-H2O]+ 170.108210 131.2
[M+HCOO]- 232.109151 159.6
[M+CH3COO]- 246.124801 152.1
[M+Na-2H]- 208.085616 144.2
[M]+ 187.11040142 136.8
[M]- 187.11149858 136.8
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

No patent data available for this compound.