CID 3048337

63903-64-0

Structural Information

Molecular Formula
C15H21NO
SMILES
C[C@@]12CCN([C@H]([C@@]1(C)O)CC3=CC=CC=C23)C
InChI
InChI=1S/C15H21NO/c1-14-8-9-16(3)13(15(14,2)17)10-11-6-4-5-7-12(11)14/h4-7,13,17H,8-10H2,1-3H3/t13-,14-,15+/m0/s1
InChIKey
SSJHPSNXHBBMES-SOUVJXGZSA-N
Compound name
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 154.8
[M+Na]+ 254.151528 163.2
[M-H]- 230.155034 155.9
[M+NH4]+ 249.196133 177.8
[M+K]+ 270.125468 158.7
[M+H-H2O]+ 214.159570 148.2
[M+HCOO]- 276.160511 168.2
[M+CH3COO]- 290.176161 166.1
[M+Na-2H]- 252.136976 162.3
[M]+ 231.16176142 152.4
[M]- 231.16285858 152.4
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.