CID 29635

1,3-butanediol diacrylate

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

CC(CCOC(=O)C=C)OC(=O)C=C

InChI

InChI=1S/C10H14O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3

InChIKey

FQMIAEWUVYWVNB-UHFFFAOYSA-N

Compound name

3-prop-2-enoyloxybutyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 26923
Patents: 198.0892 Da
Monoisotopic Mass: 2.0
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]+	199.09648	145.2
[M+Na]+	221.07842	153.2
[M+NH4]+	216.12302	150.1
[M+K]+	237.05236	149.5
[M-H]-	197.08192	141.9
[M+Na-2H]-	219.06387	145.9
[M]+	198.08865	144.8
[M]-	198.08975	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe