CID 33682

27068-07-1

Structural Information

Molecular Formula

C₁₂H₂₀NO

SMILES

CC[N+](CC)(CC)C1=CC(=CC=C1)O

InChI

InChI=1S/C12H19NO/c1-4-13(5-2,6-3)11-8-7-9-12(14)10-11/h7-10H,4-6H2,1-3H3/p+1

InChIKey

CYKLMMLDTNBEGG-UHFFFAOYSA-O

Compound name

triethyl-(3-hydroxyphenyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 9
Patents: 194.1545 Da
Monoisotopic Mass: 2.6
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]+	195.16178	143.1
[M+Na]+	217.14372	149.6
[M-H]-	193.14722	147.0
[M+NH4]+	212.18832	162.7
[M+K]+	233.11766	142.2
[M+H-H2O]+	177.15176	140.4
[M+HCOO]-	239.15270	165.9
[M+CH3COO]-	253.16835	182.1
[M+Na-2H]-	215.12917	152.4
[M]+	194.15395	143.0
[M]-	194.15505	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe