CID 3048363

63903-78-6

Structural Information

Molecular Formula
C15H21NO2
SMILES
C[C@@]12CCN([C@H]([C@@H]1O)CC3=C2C=C(C=C3)OC)C
InChI
InChI=1S/C15H21NO2/c1-15-6-7-16(2)13(14(15)17)8-10-4-5-11(18-3)9-12(10)15/h4-5,9,13-14,17H,6-8H2,1-3H3/t13-,14-,15-/m0/s1
InChIKey
CJUYSRZZICRHKV-KKUMJFAQSA-N
Compound name
(1S,9S,13R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.8
[M+Na]+ 270.146448 165.8
[M-H]- 246.149954 158.8
[M+NH4]+ 265.191053 178.4
[M+K]+ 286.120388 161.9
[M+H-H2O]+ 230.154490 151.2
[M+HCOO]- 292.155431 171.4
[M+CH3COO]- 306.171081 168.8
[M+Na-2H]- 268.131896 163.8
[M]+ 247.15668142 156.9
[M]- 247.15777858 156.9
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.