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]+ 244.16959 156.7
[M+Na]+ 266.15153 163.0
[M-H]- 242.15503 158.1
[M+NH4]+ 261.19613 170.3
[M+K]+ 282.12547 156.5
[M+H-H2O]+ 226.15957 142.2
[M+HCOO]- 288.16051 169.7
[M+CH3COO]- 302.17616 197.9
[M+Na-2H]- 264.13698 159.9
[M]+ 243.16176 148.1
[M]- 243.16286 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.