CID 3079583

126088-49-1

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCN1CCCC(C1)C2=C(C(=CC=C2)O)CC=C
InChI
InChI=1S/C17H25NO/c1-3-7-16-15(9-5-10-17(16)19)14-8-6-12-18(13-14)11-4-2/h3,5,9-10,14,19H,1,4,6-8,11-13H2,2H3
InChIKey
RUJDVJJIKRTXLB-UHFFFAOYSA-N
Compound name
2-prop-2-enyl-3-(1-propylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 164.6
[M+Na]+ 282.182818 169.5
[M-H]- 258.186324 167.5
[M+NH4]+ 277.227423 179.5
[M+K]+ 298.156758 164.4
[M+H-H2O]+ 242.190860 156.5
[M+HCOO]- 304.191801 181.2
[M+CH3COO]- 318.207451 196.7
[M+Na-2H]- 280.168266 165.4
[M]+ 259.19305142 160.9
[M]- 259.19414858 160.9
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.