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]+ 318.24275 176.7
[M+Na]+ 340.22469 183.6
[M-H]- 316.22819 180.8
[M+NH4]+ 335.26929 193.8
[M+K]+ 356.19863 180.3
[M+H-H2O]+ 300.23273 169.9
[M+HCOO]- 362.23367 192.9
[M+CH3COO]- 376.24932 209.5
[M+Na-2H]- 338.21014 177.9
[M]+ 317.23492 178.4
[M]- 317.23602 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.