CID 58325

1-methyl-4-piperidyl phenyl carbonate

Structural Information

Molecular Formula
C13H17NO3
SMILES
CN1CCC(CC1)OC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C13H17NO3/c1-14-9-7-12(8-10-14)17-13(15)16-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey
FIZXROOUPLXMBF-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.8
[M+Na]+ 258.11007 165.7
[M+NH4]+ 253.15467 161.5
[M+K]+ 274.08401 159.5
[M-H]- 234.11357 156.6
[M+Na-2H]- 256.09552 160.6
[M]+ 235.12030 156.1
[M]- 235.12140 156.1
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.