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]+ 244.133206 154.4
[M+Na]+ 266.115148 161.9
[M-H]- 242.118654 161.2
[M+NH4]+ 261.159753 171.9
[M+K]+ 282.089088 159.4
[M+H-H2O]+ 226.123190 147.0
[M+HCOO]- 288.124131 173.6
[M+CH3COO]- 302.139781 166.8
[M+Na-2H]- 264.100596 158.3
[M]+ 243.12538142 153.9
[M]- 243.12647858 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.