CID 3669269

28532-91-4

Structural Information

Molecular Formula
C16H21NO3
SMILES
C1COC(=O)C1C2(CCN(CC2)CC3=CC=CC=C3)O
InChI
InChI=1S/C16H21NO3/c18-15-14(6-11-20-15)16(19)7-9-17(10-8-16)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2
InChIKey
LSABJPIDIAERGU-UHFFFAOYSA-N
Compound name
3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.15213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.6
[M+Na]+ 298.14135 176.6
[M+NH4]+ 293.18595 174.8
[M+K]+ 314.11529 170.3
[M-H]- 274.14485 170.9
[M+Na-2H]- 296.12680 172.6
[M]+ 275.15158 168.7
[M]- 275.15268 168.7
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

patents stripe