CID 201478

Piperidine, 1-(4-(benzyloxy)-2-butynyl)-

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CCN(CC1)CC#CCOCC2=CC=CC=C2
InChI
InChI=1S/C16H21NO/c1-3-9-16(10-4-1)15-18-14-8-7-13-17-11-5-2-6-12-17/h1,3-4,9-10H,2,5-6,11-15H2
InChIKey
TZFNYGOXMIZWJC-UHFFFAOYSA-N
Compound name
1-(4-phenylmethoxybut-2-ynyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 156.7
[M+Na]+ 266.151528 163.0
[M-H]- 242.155034 158.1
[M+NH4]+ 261.196133 170.3
[M+K]+ 282.125468 156.5
[M+H-H2O]+ 226.159570 142.2
[M+HCOO]- 288.160511 169.7
[M+CH3COO]- 302.176161 197.9
[M+Na-2H]- 264.136976 159.9
[M]+ 243.16176142 148.1
[M]- 243.16285858 148.1
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.