CID 3065763

2-(methylamino)-alpha-octyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride

Structural Information

Molecular Formula
C21H39NO
SMILES
CCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O
InChI
InChI=1S/C21H39NO/c1-3-4-5-6-7-8-9-20(23)15-21(22-2)18-11-16-10-17(13-18)14-19(21)12-16/h16-20,22-23H,3-15H2,1-2H3
InChIKey
PJCRXQIYSAMJIX-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)-2-adamantyl]decan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.30316 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.31044 183.0
[M+Na]+ 344.29238 189.2
[M+NH4]+ 339.33698 194.3
[M+K]+ 360.26632 178.6
[M-H]- 320.29588 180.9
[M+Na-2H]- 342.27783 177.5
[M]+ 321.30261 183.2
[M]- 321.30371 183.2
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