CID 206637

28331-20-6

Structural Information

Molecular Formula
C15H21NO
SMILES
C[C@@]12CCCN(C(C1)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C15H21NO/c1-15-6-3-7-16(2)12(10-15)8-11-4-5-13(17)9-14(11)15/h4-5,9,12,17H,3,6-8,10H2,1-2H3/t12?,15-/m1/s1
InChIKey
FJHVRKJLMORHOW-WPZCJLIBSA-N
Compound name
(1R)-1,10-dimethyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 149.4
[M+Na]+ 254.15153 160.1
[M+NH4]+ 249.19613 159.7
[M+K]+ 270.12547 152.6
[M-H]- 230.15503 151.2
[M+Na-2H]- 252.13698 154.2
[M]+ 231.16176 151.6
[M]- 231.16286 151.6
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.