CID 643478

7-methoxy-2,2,4-trimethyl-1,2-dihydroquinoline

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

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

InChI

InChI=1S/C13H17NO/c1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h5-8,14H,1-4H3

InChIKey

VNIQAUZZZWOJPT-UHFFFAOYSA-N

Compound name

7-methoxy-2,2,4-trimethyl-1H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 203.13101 Da
Monoisotopic Mass: 2.7
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]+	204.13829	145.8
[M+Na]+	226.12023	160.2
[M+NH4]+	221.16483	156.5
[M+K]+	242.09417	150.7
[M-H]-	202.12373	148.5
[M+Na-2H]-	224.10568	153.6
[M]+	203.13046	148.9
[M]-	203.13156	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe