CID 86708

18360-63-9

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

CC=CC(=O)OCCOC(=O)C=CC

InChI

InChI=1S/C10H14O4/c1-3-5-9(11)13-7-8-14-10(12)6-4-2/h3-6H,7-8H2,1-2H3

InChIKey

APJRQJNSYFWQJD-UHFFFAOYSA-N

Compound name

2-but-2-enoyloxyethyl but-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 198.0892 Da
Monoisotopic Mass: 1.7
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]+	199.096476	143.7
[M+Na]+	221.078418	150.3
[M-H]-	197.081924	143.7
[M+NH4]+	216.123023	163.1
[M+K]+	237.052358	149.5
[M+H-H2O]+	181.086460	138.6
[M+HCOO]-	243.087401	166.1
[M+CH3COO]-	257.103051	182.6
[M+Na-2H]-	219.063866	146.4
[M]+	198.08865142	148.0
[M]-	198.08974858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe