CID 201061

3161-20-4

Structural Information

Molecular Formula
C16H23NO
SMILES
CC1C(CCCN1CC=C)(C)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H23NO/c1-4-10-17-11-6-9-16(3,13(17)2)14-7-5-8-15(18)12-14/h4-5,7-8,12-13,18H,1,6,9-11H2,2-3H3
InChIKey
BJMOQLMTHOPSED-UHFFFAOYSA-N
Compound name
3-(2,3-dimethyl-1-prop-2-enylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.2
[M+Na]+ 268.16718 165.5
[M-H]- 244.17068 162.8
[M+NH4]+ 263.21178 176.8
[M+K]+ 284.14112 161.1
[M+H-H2O]+ 228.17522 152.0
[M+HCOO]- 290.17616 176.2
[M+CH3COO]- 304.19181 193.3
[M+Na-2H]- 266.15263 161.8
[M]+ 245.17741 155.6
[M]- 245.17851 155.6
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.