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: 77395
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	130.5
[M+Na]+	167.06786	137.3
[M-H]-	143.07136	129.3
[M+NH4]+	162.11246	151.4
[M+K]+	183.04180	136.6
[M+H-H2O]+	127.07590	126.0
[M+HCOO]-	189.07684	152.7
[M+CH3COO]-	203.09249	171.8
[M+Na-2H]-	165.05331	135.4
[M]+	144.07809	132.5
[M]-	144.07919	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe