CID 107291

4490-59-9

Structural Information

Molecular Formula
C20H29NO
SMILES
CC1C2CC3=C(C1(CCN2CC4CCCC4)C)C=C(C=C3)O
InChI
InChI=1S/C20H29NO/c1-14-19-11-16-7-8-17(22)12-18(16)20(14,2)9-10-21(19)13-15-5-3-4-6-15/h7-8,12,14-15,19,22H,3-6,9-11,13H2,1-2H3
InChIKey
IWVYGHPIVATQRG-UHFFFAOYSA-N
Compound name
10-(cyclopentylmethyl)-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

299.2249 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 175.9
[M+Na]+ 322.214118 180.9
[M-H]- 298.217624 178.8
[M+NH4]+ 317.258723 195.4
[M+K]+ 338.188058 174.8
[M+H-H2O]+ 282.222160 168.0
[M+HCOO]- 344.223101 186.8
[M+CH3COO]- 358.238751 184.8
[M+Na-2H]- 320.199566 176.1
[M]+ 299.22435142 170.3
[M]- 299.22544858 170.3
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

patents stripe