CID 599799

2,2,4-trimethyl-1,2-dihydro-6-quinolinol

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CC1=CC(NC2=C1C=C(C=C2)O)(C)C

InChI

InChI=1S/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3

InChIKey

QSINDHMECZQCAW-UHFFFAOYSA-N

Compound name

2,2,4-trimethyl-1H-quinolin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 189.11537 Da
Monoisotopic Mass: 2.4
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]+	190.12265	141.6
[M+Na]+	212.10459	151.2
[M-H]-	188.10809	142.8
[M+NH4]+	207.14919	162.5
[M+K]+	228.07853	146.9
[M+H-H2O]+	172.11263	136.3
[M+HCOO]-	234.11357	159.6
[M+CH3COO]-	248.12922	180.6
[M+Na-2H]-	210.09004	148.6
[M]+	189.11482	139.7
[M]-	189.11592	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe