CID 3065755

Alpha-hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride

Structural Information

Molecular Formula
C19H35NO
SMILES
CCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O
InChI
InChI=1S/C19H35NO/c1-3-4-5-6-7-18(21)13-19(20-2)16-9-14-8-15(11-16)12-17(19)10-14/h14-18,20-21H,3-13H2,1-2H3
InChIKey
XKNRQVVQDSCLMA-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)-2-adamantyl]octan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.27185 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.279126 179.2
[M+Na]+ 316.261068 177.7
[M-H]- 292.264574 171.6
[M+NH4]+ 311.305673 200.6
[M+K]+ 332.235008 173.4
[M+H-H2O]+ 276.269110 172.7
[M+HCOO]- 338.270051 182.4
[M+CH3COO]- 352.285701 214.3
[M+Na-2H]- 314.246516 184.9
[M]+ 293.27130142 179.2
[M]- 293.27239858 179.2
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