CID 6448119

Chr 5

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

C/C=C(\C)/C(=O)N1CCCC2=C1C=CC(=C2)C

InChI

InChI=1S/C15H19NO/c1-4-12(3)15(17)16-9-5-6-13-10-11(2)7-8-14(13)16/h4,7-8,10H,5-6,9H2,1-3H3/b12-4+

InChIKey

KPPVNWGJXFMGAM-UUILKARUSA-N

Compound name

(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 229.14667 Da
Monoisotopic Mass: 3.2
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]+	230.153946	153.9
[M+Na]+	252.135888	160.1
[M-H]-	228.139394	156.4
[M+NH4]+	247.180493	171.8
[M+K]+	268.109828	156.6
[M+H-H2O]+	212.143930	146.9
[M+HCOO]-	274.144871	170.7
[M+CH3COO]-	288.160521	193.1
[M+Na-2H]-	250.121336	156.4
[M]+	229.14612142	151.7
[M]-	229.14721858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe