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]+ 300.23218 175.9
[M+Na]+ 322.21412 180.9
[M-H]- 298.21762 178.8
[M+NH4]+ 317.25872 195.4
[M+K]+ 338.18806 174.8
[M+H-H2O]+ 282.22216 168.0
[M+HCOO]- 344.22310 186.8
[M+CH3COO]- 358.23875 184.8
[M+Na-2H]- 320.19957 176.1
[M]+ 299.22435 170.3
[M]- 299.22545 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