CID 3034734

53538-75-3

Structural Information

Molecular Formula
C16H23NO2
SMILES
C[C@]12CCN([C@H](C1(C)O)CC3=C2C=C(C=C3)OC)C
InChI
InChI=1S/C16H23NO2/c1-15-7-8-17(3)14(16(15,2)18)9-11-5-6-12(19-4)10-13(11)15/h5-6,10,14,18H,7-9H2,1-4H3/t14-,15+,16?/m0/s1
InChIKey
PIBMSFLYCRQQOC-QMRHZFGWSA-N
Compound name
(1R,9S)-4-methoxy-1,10,13-trimethyl-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

261.17288 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.0
[M+Na]+ 284.16210 170.6
[M-H]- 260.16560 163.2
[M+NH4]+ 279.20670 184.0
[M+K]+ 300.13604 166.7
[M+H-H2O]+ 244.17014 155.4
[M+HCOO]- 306.17108 175.2
[M+CH3COO]- 320.18673 198.2
[M+Na-2H]- 282.14755 168.5
[M]+ 261.17233 161.8
[M]- 261.17343 161.8
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.