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 164.3
[M+Na]+ 298.14135 168.7
[M-H]- 274.14485 171.0
[M+NH4]+ 293.18595 180.0
[M+K]+ 314.11529 166.2
[M+H-H2O]+ 258.14939 156.3
[M+HCOO]- 320.15033 180.0
[M+CH3COO]- 334.16598 174.6
[M+Na-2H]- 296.12680 165.9
[M]+ 275.15158 159.0
[M]- 275.15268 159.0
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