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]+ 232.169586 152.4
[M+Na]+ 254.151528 158.8
[M-H]- 230.155034 154.8
[M+NH4]+ 249.196133 172.3
[M+K]+ 270.125468 157.4
[M+H-H2O]+ 214.159570 147.1
[M+HCOO]- 276.160511 165.9
[M+CH3COO]- 290.176161 163.1
[M+Na-2H]- 252.136976 158.7
[M]+ 231.16176142 146.8
[M]- 231.16285858 146.8
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.