CID 201721

3-(3-(1-allyl-3-propylpiperidinyl))phenol, hydrochloride

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCC1(CCCN(C1)CC=C)C2=CC(=CC=C2)O
InChI
InChI=1S/C17H25NO/c1-3-9-17(15-7-5-8-16(19)13-15)10-6-12-18(14-17)11-4-2/h4-5,7-8,13,19H,2-3,6,9-12,14H2,1H3
InChIKey
IMSHRLAJIFZERG-UHFFFAOYSA-N
Compound name
3-(1-prop-2-enyl-3-propylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 164.3
[M+Na]+ 282.182818 169.2
[M-H]- 258.186324 167.3
[M+NH4]+ 277.227423 181.0
[M+K]+ 298.156758 164.5
[M+H-H2O]+ 242.190860 156.6
[M+HCOO]- 304.191801 181.0
[M+CH3COO]- 318.207451 195.1
[M+Na-2H]- 280.168266 167.0
[M]+ 259.19305142 160.6
[M]- 259.19414858 160.6
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.