CID 434113

2-(piperidin-2-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CCNC(C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H15N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-2,5-6,11,13H,3-4,7-8H2,(H,14,15)
InChIKey
WADQLYMWCOLMMB-UHFFFAOYSA-N
Compound name
2-piperidin-2-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

201.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 144.4
[M+Na]+ 224.115818 151.4
[M-H]- 200.119324 144.9
[M+NH4]+ 219.160423 160.6
[M+K]+ 240.089758 145.5
[M+H-H2O]+ 184.123860 135.7
[M+HCOO]- 246.124801 160.3
[M+CH3COO]- 260.140451 155.1
[M+Na-2H]- 222.101266 150.1
[M]+ 201.12605142 137.8
[M]- 201.12714858 137.8
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