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 188.0
[M+Na]+ 344.29238 185.7
[M-H]- 320.29588 180.0
[M+NH4]+ 339.33698 208.2
[M+K]+ 360.26632 180.9
[M+H-H2O]+ 304.30042 181.2
[M+HCOO]- 366.30136 190.6
[M+CH3COO]- 380.31701 219.9
[M+Na-2H]- 342.27783 192.7
[M]+ 321.30261 188.6
[M]- 321.30371 188.6
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