CID 3048323

63903-55-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.3
[M+Na]+ 270.14645 167.1
[M-H]- 246.14995 158.4
[M+NH4]+ 265.19105 180.3
[M+K]+ 286.12039 162.6
[M+H-H2O]+ 230.15449 152.4
[M+HCOO]- 292.15543 170.3
[M+CH3COO]- 306.17108 169.1
[M+Na-2H]- 268.13190 165.0
[M]+ 247.15668 156.1
[M]- 247.15778 156.1
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.