CID 218987

41457-03-8

Structural Information

Molecular Formula

C₁₈H₂₇NO₂

SMILES

CC1=CC(=CC=C1)OCC(CN2C(C=CC2(C)C)(C)C)O

InChI

InChI=1S/C18H27NO2/c1-14-7-6-8-16(11-14)21-13-15(20)12-19-17(2,3)9-10-18(19,4)5/h6-11,15,20H,12-13H2,1-5H3

InChIKey

JVESSOBPRZLHES-UHFFFAOYSA-N

Compound name

1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 289.2042 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	290.211476	168.2
[M+Na]+	312.193418	176.0
[M-H]-	288.196924	172.7
[M+NH4]+	307.238023	188.2
[M+K]+	328.167358	172.7
[M+H-H2O]+	272.201460	162.2
[M+HCOO]-	334.202401	187.4
[M+CH3COO]-	348.218051	201.8
[M+Na-2H]-	310.178866	169.7
[M]+	289.20365142	171.0
[M]-	289.20474858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe