CID 218985

41457-02-7

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC1=CC=CC=C1OCC(CN2C(C=CC2(C)C)(C)C)O
InChI
InChI=1S/C18H27NO2/c1-14-8-6-7-9-16(14)21-13-15(20)12-19-17(2,3)10-11-18(19,4)5/h6-11,15,20H,12-13H2,1-5H3
InChIKey
KJHRLHJXRVUGAC-UHFFFAOYSA-N
Compound name
1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 168.2
[M+Na]+ 312.19342 176.0
[M-H]- 288.19692 172.7
[M+NH4]+ 307.23802 188.2
[M+K]+ 328.16736 172.7
[M+H-H2O]+ 272.20146 162.2
[M+HCOO]- 334.20240 187.4
[M+CH3COO]- 348.21805 201.8
[M+Na-2H]- 310.17887 169.7
[M]+ 289.20365 171.0
[M]- 289.20475 171.0
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.