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]+ 260.20088 164.3
[M+Na]+ 282.18282 169.2
[M-H]- 258.18632 167.3
[M+NH4]+ 277.22742 181.0
[M+K]+ 298.15676 164.5
[M+H-H2O]+ 242.19086 156.6
[M+HCOO]- 304.19180 181.0
[M+CH3COO]- 318.20745 195.1
[M+Na-2H]- 280.16827 167.0
[M]+ 259.19305 160.6
[M]- 259.19415 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.