CID 64259

27866-09-7

Structural Information

Molecular Formula
C22H39NO2
SMILES
CC1(CCC(N1CC(COCC23CC4CC(C2)CC(C4)C3)O)(C)C)C
InChI
InChI=1S/C22H39NO2/c1-20(2)5-6-21(3,4)23(20)13-19(24)14-25-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-19,24H,5-15H2,1-4H3
InChIKey
JDOIPWGAYASPKP-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.29807 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.30535 191.2
[M+Na]+ 372.28729 197.2
[M+NH4]+ 367.33189 204.9
[M+K]+ 388.26123 186.0
[M-H]- 348.29079 188.9
[M+Na-2H]- 370.27274 187.5
[M]+ 349.29752 191.7
[M]- 349.29862 191.7
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.