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]+ 278.21148 166.7
[M+Na]+ 300.19342 173.0
[M-H]- 276.19692 170.6
[M+NH4]+ 295.23802 186.7
[M+K]+ 316.16736 170.1
[M+H-H2O]+ 260.20146 160.5
[M+HCOO]- 322.20240 184.8
[M+CH3COO]- 336.21805 198.0
[M+Na-2H]- 298.17887 168.2
[M]+ 277.20365 167.2
[M]- 277.20475 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.