CID 218981

1-(2-methoxyphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC1(CCC(N1CC(COC2=CC=CC=C2OC)O)(C)C)C
InChI
InChI=1S/C18H29NO3/c1-17(2)10-11-18(3,4)19(17)12-14(20)13-22-16-9-7-6-8-15(16)21-5/h6-9,14,20H,10-13H2,1-5H3
InChIKey
RHSOSPVCQQWPKZ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenoxy)-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

307.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 172.9
[M+Na]+ 330.203968 179.5
[M-H]- 306.207474 176.9
[M+NH4]+ 325.248573 191.9
[M+K]+ 346.177908 177.0
[M+H-H2O]+ 290.212010 166.8
[M+HCOO]- 352.212951 190.8
[M+CH3COO]- 366.228601 204.2
[M+Na-2H]- 328.189416 173.6
[M]+ 307.21420142 175.7
[M]- 307.21529858 175.7
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.