CID 75588

4-hydroxybutyl acrylate

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C=CC(=O)OCCCCO

InChI

InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2

InChIKey

NDWUBGAGUCISDV-UHFFFAOYSA-N

Compound name

4-hydroxybutyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 74192
Patents: 144.07864 Da
Monoisotopic Mass: 1.1
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]+	145.08592	131.1
[M+Na]+	167.06786	140.3
[M+NH4]+	162.11246	137.6
[M+K]+	183.04180	135.6
[M-H]-	143.07136	128.9
[M+Na-2H]-	165.05331	133.4
[M]+	144.07809	131.3
[M]-	144.07919	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe