CID 263056

16294-60-3

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

C1CC2=CC=C(C3=CC=CC1=C23)C(=O)CCC(=O)O

InChI

InChI=1S/C16H14O3/c17-14(8-9-15(18)19)12-7-6-11-5-4-10-2-1-3-13(12)16(10)11/h1-3,6-7H,4-5,8-9H2,(H,18,19)

InChIKey

RCYQMZNDPNZBNL-UHFFFAOYSA-N

Compound name

4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 254.0943 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]+	255.101576	157.6
[M+Na]+	277.083518	164.6
[M-H]-	253.087024	160.8
[M+NH4]+	272.128123	177.8
[M+K]+	293.057458	160.6
[M+H-H2O]+	237.091560	151.9
[M+HCOO]-	299.092501	176.2
[M+CH3COO]-	313.108151	194.9
[M+Na-2H]-	275.068966	160.9
[M]+	254.09375142	159.2
[M]-	254.09484858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe