CID 163236

68480-18-2

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C)COC(=O)C=CC1=CC=CO1

InChI

InChI=1S/C11H14O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-7,9H,8H2,1-2H3

InChIKey

MXXZZSWRRDGWLK-UHFFFAOYSA-N

Compound name

2-methylpropyl 3-(furan-2-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 194.0943 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]+	195.10158	144.4
[M+Na]+	217.08352	151.0
[M-H]-	193.08702	148.4
[M+NH4]+	212.12812	164.2
[M+K]+	233.05746	151.0
[M+H-H2O]+	177.09156	138.8
[M+HCOO]-	239.09250	167.2
[M+CH3COO]-	253.10815	182.0
[M+Na-2H]-	215.06897	147.7
[M]+	194.09375	147.8
[M]-	194.09485	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.