CID 909932

Isopropyl beta-2-furylacrylate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CC(C)OC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C10H12O3/c1-8(2)13-10(11)6-5-9-4-3-7-12-9/h3-8H,1-2H3/b6-5+

InChIKey

ASFDSPFXJFSSEX-AATRIKPKSA-N

Compound name

propan-2-yl (E)-3-(furan-2-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 180.07864 Da
Monoisotopic Mass: 2.3
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]+	181.085916	139.5
[M+Na]+	203.067858	146.6
[M-H]-	179.071364	143.7
[M+NH4]+	198.112463	159.9
[M+K]+	219.041798	146.8
[M+H-H2O]+	163.075900	134.2
[M+HCOO]-	225.076841	162.7
[M+CH3COO]-	239.092491	179.0
[M+Na-2H]-	201.053306	143.4
[M]+	180.07809142	142.6
[M]-	180.07918858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe