CID 40728

53310-31-9

Structural Information

Molecular Formula
C17H23NO
SMILES
C1CCN(CC1)CCCC#CC(C2=CC=CC=C2)O
InChI
InChI=1S/C17H23NO/c19-17(16-10-4-1-5-11-16)12-6-2-7-13-18-14-8-3-9-15-18/h1,4-5,10-11,17,19H,2-3,7-9,13-15H2
InChIKey
AULGTZLGNBMTDY-UHFFFAOYSA-N
Compound name
1-phenyl-6-piperidin-1-ylhex-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 163.2
[M+Na]+ 280.167198 168.4
[M-H]- 256.170704 163.3
[M+NH4]+ 275.211803 175.5
[M+K]+ 296.141138 161.4
[M+H-H2O]+ 240.175240 148.9
[M+HCOO]- 302.176181 173.6
[M+CH3COO]- 316.191831 199.0
[M+Na-2H]- 278.152646 164.2
[M]+ 257.17743142 152.6
[M]- 257.17852858 152.6
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.