CID 3048331

63903-60-6

Structural Information

Molecular Formula
C18H27NO
SMILES
CCCCN1CC[C@@]2([C@H]([C@@H]1CC3=C2C=C(C=C3)O)C)C
InChI
InChI=1S/C18H27NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,4-5,8-11H2,1-3H3/t13-,17-,18+/m0/s1
InChIKey
GIRAXIKYUCVHAU-DOPJRALCSA-N
Compound name
(1R,9S,13R)-10-butyl-1,13-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

273.20926 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 168.4
[M+Na]+ 296.19848 175.1
[M-H]- 272.20198 168.8
[M+NH4]+ 291.24308 187.9
[M+K]+ 312.17242 169.9
[M+H-H2O]+ 256.20652 161.2
[M+HCOO]- 318.20746 180.7
[M+CH3COO]- 332.22311 202.4
[M+Na-2H]- 294.18393 172.6
[M]+ 273.20871 166.9
[M]- 273.20981 166.9
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.