CID 15515062

35301-66-7

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

CCC1=CC2=C(C=C1)C(=O)C34CCCCC3(C2=O)O4

InChI

InChI=1S/C16H16O3/c1-2-10-5-6-11-12(9-10)14(18)16-8-4-3-7-15(16,19-16)13(11)17/h5-6,9H,2-4,7-8H2,1H3

InChIKey

GQNDEQRVNHMCEV-UHFFFAOYSA-N

Compound name

5-ethyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 256.10995 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]+	257.117226	159.3
[M+Na]+	279.099168	169.7
[M-H]-	255.102674	168.4
[M+NH4]+	274.143773	176.1
[M+K]+	295.073108	168.0
[M+H-H2O]+	239.107210	152.5
[M+HCOO]-	301.108151	175.1
[M+CH3COO]-	315.123801	171.5
[M+Na-2H]-	277.084616	166.7
[M]+	256.10940142	161.9
[M]-	256.11049858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe