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 191.9
[M+Na]+ 372.28729 192.6
[M-H]- 348.29079 186.3
[M+NH4]+ 367.33189 215.4
[M+K]+ 388.26123 187.2
[M+H-H2O]+ 332.29533 183.3
[M+HCOO]- 394.29627 191.3
[M+CH3COO]- 408.31192 196.7
[M+Na-2H]- 370.27274 194.3
[M]+ 349.29752 192.1
[M]- 349.29862 192.1
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