CID 211991

23793-81-9

Structural Information

Molecular Formula
C20H31NO2
SMILES
CC1=C(C(=CC=C1)C)OCC(CN2C(CC=CC2(C)C)(C)C)O
InChI
InChI=1S/C20H31NO2/c1-15-9-7-10-16(2)18(15)23-14-17(22)13-21-19(3,4)11-8-12-20(21,5)6/h7-11,17,22H,12-14H2,1-6H3
InChIKey
IRMOAQYMPUOMMX-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 176.7
[M+Na]+ 340.224688 183.6
[M-H]- 316.228194 180.8
[M+NH4]+ 335.269293 193.8
[M+K]+ 356.198628 180.3
[M+H-H2O]+ 300.232730 169.9
[M+HCOO]- 362.233671 192.9
[M+CH3COO]- 376.249321 209.5
[M+Na-2H]- 338.210136 177.9
[M]+ 317.23492142 178.4
[M]- 317.23601858 178.4
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.