CID 201687

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

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1(CCCN(C1)CC=C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
InChIKey
PDNXCHZQJQBVIV-UHFFFAOYSA-N
Compound name
3-(3-methyl-1-prop-2-enylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.4
[M+Na]+ 254.15153 161.3
[M-H]- 230.15503 158.8
[M+NH4]+ 249.19613 173.3
[M+K]+ 270.12547 157.0
[M+H-H2O]+ 214.15957 148.2
[M+HCOO]- 276.16051 172.8
[M+CH3COO]- 290.17616 189.1
[M+Na-2H]- 252.13698 159.2
[M]+ 231.16176 151.0
[M]- 231.16286 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe