CID 32462

L 5360

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1CCN(CC1)CC2CCC3=C(C2=O)C4=CC=CC=C4O3
InChI
InChI=1S/C18H21NO2/c20-18-13(12-19-10-4-1-5-11-19)8-9-16-17(18)14-6-2-3-7-15(14)21-16/h2-3,6-7,13H,1,4-5,8-12H2
InChIKey
IKTCEUCHFTZQBZ-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-dibenzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 165.0
[M+Na]+ 306.14645 171.4
[M-H]- 282.14995 171.8
[M+NH4]+ 301.19105 181.6
[M+K]+ 322.12039 167.3
[M+H-H2O]+ 266.15449 156.6
[M+HCOO]- 328.15543 180.8
[M+CH3COO]- 342.17108 175.9
[M+Na-2H]- 304.13190 168.2
[M]+ 283.15668 162.2
[M]- 283.15778 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.