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]+ 188.11823 139.5
[M+Na]+ 210.10017 148.3
[M-H]- 186.10367 142.2
[M+NH4]+ 205.14477 159.0
[M+K]+ 226.07411 144.0
[M+H-H2O]+ 170.10821 131.2
[M+HCOO]- 232.10915 159.6
[M+CH3COO]- 246.12480 152.1
[M+Na-2H]- 208.08562 144.2
[M]+ 187.11040 136.8
[M]- 187.11150 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.