CID 9881384

246247-82-5

Structural Information

Molecular Formula

C₁₄H₁₆O₄

SMILES

CC(=CC(=O)C1=C(C=CC(=C1)C(=O)OC)OC)C

InChI

InChI=1S/C14H16O4/c1-9(2)7-12(15)11-8-10(14(16)18-4)5-6-13(11)17-3/h5-8H,1-4H3

InChIKey

OBVVORXDELICKT-UHFFFAOYSA-N

Compound name

methyl 4-methoxy-3-(3-methylbut-2-enoyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 248.10486 Da
Monoisotopic Mass: 2.9
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]+	249.11214	153.9
[M+Na]+	271.09408	161.2
[M-H]-	247.09758	157.7
[M+NH4]+	266.13868	171.4
[M+K]+	287.06802	160.0
[M+H-H2O]+	231.10212	147.8
[M+HCOO]-	293.10306	175.4
[M+CH3COO]-	307.11871	195.5
[M+Na-2H]-	269.07953	154.7
[M]+	248.10431	158.2
[M]-	248.10541	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe