CID 2835201

4497-59-0

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CC1CC(N(C2=CC=CC=C12)C(=O)C)(C)C

InChI

InChI=1S/C14H19NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-8,10H,9H2,1-4H3

InChIKey

DICCKTLYSLKYNN-UHFFFAOYSA-N

Compound name

1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 217.14667 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]+	218.15395	149.2
[M+Na]+	240.13589	157.8
[M-H]-	216.13939	152.6
[M+NH4]+	235.18049	170.2
[M+K]+	256.10983	154.9
[M+H-H2O]+	200.14393	143.1
[M+HCOO]-	262.14487	167.2
[M+CH3COO]-	276.16052	191.5
[M+Na-2H]-	238.12134	153.9
[M]+	217.14612	148.8
[M]-	217.14722	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe