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

12
Patents

275.15213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 164.3
[M+Na]+ 298.141348 168.7
[M-H]- 274.144854 171.0
[M+NH4]+ 293.185953 180.0
[M+K]+ 314.115288 166.2
[M+H-H2O]+ 258.149390 156.3
[M+HCOO]- 320.150331 180.0
[M+CH3COO]- 334.165981 174.6
[M+Na-2H]- 296.126796 165.9
[M]+ 275.15158142 159.0
[M]- 275.15267858 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