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 152.4
[M+Na]+ 254.15153 158.8
[M-H]- 230.15503 154.8
[M+NH4]+ 249.19613 172.3
[M+K]+ 270.12547 157.4
[M+H-H2O]+ 214.15957 147.1
[M+HCOO]- 276.16051 165.9
[M+CH3COO]- 290.17616 163.1
[M+Na-2H]- 252.13698 158.7
[M]+ 231.16176 146.8
[M]- 231.16286 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.