CID 218966

41456-85-3

Structural Information

Molecular Formula
C18H29NO2
SMILES
CC1=CC(=CC=C1)OCC(CN2C(CCC2(C)C)(C)C)O
InChI
InChI=1S/C18H29NO2/c1-14-7-6-8-16(11-14)21-13-15(20)12-19-17(2,3)9-10-18(19,4)5/h6-8,11,15,20H,9-10,12-13H2,1-5H3
InChIKey
ACMRATRNAPMWSD-UHFFFAOYSA-N
Compound name
1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

291.21982 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 169.8
[M+Na]+ 314.20904 176.6
[M-H]- 290.21254 173.9
[M+NH4]+ 309.25364 189.6
[M+K]+ 330.18298 173.5
[M+H-H2O]+ 274.21708 163.9
[M+HCOO]- 336.21802 187.5
[M+CH3COO]- 350.23367 202.2
[M+Na-2H]- 312.19449 170.3
[M]+ 291.21927 171.1
[M]- 291.22037 171.1
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

patents stripe