CID 768762

1-((3-methyl-1-benzofuran-2-yl)carbonyl)piperidine

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)N3CCCCC3
InChI
InChI=1S/C15H17NO2/c1-11-12-7-3-4-8-13(12)18-14(11)15(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey
KCWGVCAXVYBMIX-UHFFFAOYSA-N
Compound name
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

243.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 154.4
[M+Na]+ 266.11515 161.9
[M-H]- 242.11865 161.2
[M+NH4]+ 261.15975 171.9
[M+K]+ 282.08909 159.4
[M+H-H2O]+ 226.12319 147.0
[M+HCOO]- 288.12413 173.6
[M+CH3COO]- 302.13978 166.8
[M+Na-2H]- 264.10060 158.3
[M]+ 243.12538 153.9
[M]- 243.12648 153.9
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.