CID 21021

Beta-2-methyl-2-phenyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1(OCC(O1)C2CCCCN2)C3=CC=CC=C3
InChI
InChI=1S/C15H21NO2/c1-15(12-7-3-2-4-8-12)17-11-14(18-15)13-9-5-6-10-16-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChIKey
PSSUWQYMIZSKML-UHFFFAOYSA-N
Compound name
2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 157.8
[M+Na]+ 270.14645 161.8
[M-H]- 246.14995 165.0
[M+NH4]+ 265.19105 173.3
[M+K]+ 286.12039 160.5
[M+H-H2O]+ 230.15449 150.1
[M+HCOO]- 292.15543 172.6
[M+CH3COO]- 306.17108 168.4
[M+Na-2H]- 268.13190 161.2
[M]+ 247.15668 151.7
[M]- 247.15778 151.7
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

No patent data available for this compound.