CID 102227621

1542131-27-0

Structural Information

Molecular Formula
C13H15N3O
SMILES
CN1CCC(=O)CC1C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H15N3O/c1-16-7-6-9(17)8-12(16)13-14-10-4-2-3-5-11(10)15-13/h2-5,12H,6-8H2,1H3,(H,14,15)
InChIKey
FUYHSYWFKAPTKX-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 152.1
[M+Na]+ 252.110718 161.1
[M-H]- 228.114224 154.6
[M+NH4]+ 247.155323 168.3
[M+K]+ 268.084658 155.7
[M+H-H2O]+ 212.118760 143.3
[M+HCOO]- 274.119701 169.4
[M+CH3COO]- 288.135351 163.6
[M+Na-2H]- 250.096166 156.1
[M]+ 229.12095142 149.1
[M]- 229.12204858 149.1
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

No patent data available for this compound.