CID 86013

16489-90-0

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCOC1=CC2=C(C=C1)NC(CC2C)(C)C

InChI

InChI=1S/C14H21NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-8,10,15H,5,9H2,1-4H3

InChIKey

YLDDCEXDGNXCIO-UHFFFAOYSA-N

Compound name

6-ethoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 311
Patents: 219.16231 Da
Monoisotopic Mass: 3.6
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]+	220.16959	151.6
[M+Na]+	242.15153	159.6
[M-H]-	218.15503	153.4
[M+NH4]+	237.19613	171.8
[M+K]+	258.12547	155.9
[M+H-H2O]+	202.15957	145.4
[M+HCOO]-	264.16051	168.9
[M+CH3COO]-	278.17616	189.5
[M+Na-2H]-	240.13698	156.8
[M]+	219.16176	150.7
[M]-	219.16286	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe