CID 3058035

74411-68-0

Structural Information

Molecular Formula
C20H29NO
SMILES
CC1C2CC3=C(C1(CCN2CC4CC4(C)C)C)C=C(C=C3)O
InChI
InChI=1S/C20H29NO/c1-13-18-9-14-5-6-16(22)10-17(14)20(13,4)7-8-21(18)12-15-11-19(15,2)3/h5-6,10,13,15,18,22H,7-9,11-12H2,1-4H3
InChIKey
LEDLAWBCQKCAOV-UHFFFAOYSA-N
Compound name
10-[(2,2-dimethylcyclopropyl)methyl]-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 178.2
[M+Na]+ 322.21412 187.5
[M-H]- 298.21762 182.6
[M+NH4]+ 317.25872 193.7
[M+K]+ 338.18806 182.5
[M+H-H2O]+ 282.22216 171.1
[M+HCOO]- 344.22310 189.2
[M+CH3COO]- 358.23875 187.7
[M+Na-2H]- 320.19957 181.4
[M]+ 299.22435 179.4
[M]- 299.22545 179.4
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.