CID 92512

Dtxsid60972158

Structural Information

Molecular Formula
C16H23NO
SMILES
CCC1[C@@H]2CC3=C([C@]1(CCN2C)C)C=C(C=C3)O
InChI
InChI=1S/C16H23NO/c1-4-13-15-9-11-5-6-12(18)10-14(11)16(13,2)7-8-17(15)3/h5-6,10,13,15,18H,4,7-9H2,1-3H3/t13?,15-,16-/m0/s1
InChIKey
JQQICFVIEZVXBF-FMYDAXTQSA-N
Compound name
(1S,9S)-13-ethyl-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.185236 159.2
[M+Na]+ 268.167178 166.9
[M-H]- 244.170684 160.1
[M+NH4]+ 263.211783 179.9
[M+K]+ 284.141118 162.2
[M+H-H2O]+ 228.175220 152.5
[M+HCOO]- 290.176161 172.3
[M+CH3COO]- 304.191811 169.9
[M+Na-2H]- 266.152626 164.5
[M]+ 245.17741142 157.1
[M]- 245.17850858 157.1
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.