CID 218964

41456-83-1

Structural Information

Molecular Formula
C17H27NO2
SMILES
CC1(CCC(N1CC(COC2=CC=CC=C2)O)(C)C)C
InChI
InChI=1S/C17H27NO2/c1-16(2)10-11-17(3,4)18(16)12-14(19)13-20-15-8-6-5-7-9-15/h5-9,14,19H,10-13H2,1-4H3
InChIKey
YJKYOELQMMFSHQ-UHFFFAOYSA-N
Compound name
1-phenoxy-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

277.2042 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.211476 166.7
[M+Na]+ 300.193418 173.0
[M-H]- 276.196924 170.6
[M+NH4]+ 295.238023 186.7
[M+K]+ 316.167358 170.1
[M+H-H2O]+ 260.201460 160.5
[M+HCOO]- 322.202401 184.8
[M+CH3COO]- 336.218051 198.0
[M+Na-2H]- 298.178866 168.2
[M]+ 277.20365142 167.2
[M]- 277.20474858 167.2
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

No patent data available for this compound.