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]+ 294.27913 179.2
[M+Na]+ 316.26107 177.7
[M-H]- 292.26457 171.6
[M+NH4]+ 311.30567 200.6
[M+K]+ 332.23501 173.4
[M+H-H2O]+ 276.26911 172.7
[M+HCOO]- 338.27005 182.4
[M+CH3COO]- 352.28570 214.3
[M+Na-2H]- 314.24652 184.9
[M]+ 293.27130 179.2
[M]- 293.27240 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