CID 3047948

63869-42-1

Structural Information

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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.3
[M+Na]+ 270.14645 170.7
[M+NH4]+ 265.19105 168.9
[M+K]+ 286.12039 161.6
[M-H]- 246.14995 159.7
[M+Na-2H]- 268.13190 161.9
[M]+ 247.15668 160.6
[M]- 247.15778 160.6
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.