CID 5311916

123771-23-3

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC(CNC1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H15N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)
InChIKey
LQZIJJKVPOTLRE-UHFFFAOYSA-N
Compound name
2-piperidin-3-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

48
Patents

201.1266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.4
[M+Na]+ 224.11582 158.5
[M+NH4]+ 219.16042 154.1
[M+K]+ 240.08976 153.0
[M-H]- 200.11932 147.9
[M+Na-2H]- 222.10127 152.5
[M]+ 201.12605 147.8
[M]- 201.12715 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe