CID 3079589

126088-61-7

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCN1CCCC(C1)C2=CC(=C(C=C2)CC=C)O
InChI
InChI=1S/C17H25NO/c1-3-6-14-8-9-15(12-17(14)19)16-7-5-11-18(13-16)10-4-2/h3,8-9,12,16,19H,1,4-7,10-11,13H2,2H3
InChIKey
VJGMQZFKVLYLRM-UHFFFAOYSA-N
Compound name
2-prop-2-enyl-5-(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]+ 260.20088 164.6
[M+Na]+ 282.18282 169.5
[M-H]- 258.18632 167.5
[M+NH4]+ 277.22742 179.5
[M+K]+ 298.15676 164.4
[M+H-H2O]+ 242.19086 156.5
[M+HCOO]- 304.19180 181.2
[M+CH3COO]- 318.20745 196.7
[M+Na-2H]- 280.16827 165.4
[M]+ 259.19305 160.9
[M]- 259.19415 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.