CID 24031

7457-33-2

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCNC(C1)C2COC(O2)CC3=CC=CC=C3
InChI
InChI=1S/C15H21NO2/c1-2-6-12(7-3-1)10-15-17-11-14(18-15)13-8-4-5-9-16-13/h1-3,6-7,13-16H,4-5,8-11H2
InChIKey
BFIHVAAIQMHVLM-UHFFFAOYSA-N
Compound name
2-(2-benzyl-1,3-dioxolan-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.8
[M+Na]+ 270.146448 160.8
[M-H]- 246.149954 164.5
[M+NH4]+ 265.191053 171.2
[M+K]+ 286.120388 159.1
[M+H-H2O]+ 230.154490 149.7
[M+HCOO]- 292.155431 172.6
[M+CH3COO]- 306.171081 167.9
[M+Na-2H]- 268.131896 160.1
[M]+ 247.15668142 151.4
[M]- 247.15777858 151.4
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.