CID 70457

4-hydroxybutyl methacrylate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(=C)C(=O)OCCCCO

InChI

InChI=1S/C8H14O3/c1-7(2)8(10)11-6-4-3-5-9/h9H,1,3-6H2,2H3

InChIKey

YKXAYLPDMSGWEV-UHFFFAOYSA-N

Compound name

4-hydroxybutyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 50354
Patents: 158.0943 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]+	159.101576	135.5
[M+Na]+	181.083518	141.6
[M-H]-	157.087024	134.2
[M+NH4]+	176.128123	155.7
[M+K]+	197.057458	141.1
[M+H-H2O]+	141.091560	130.9
[M+HCOO]-	203.092501	156.3
[M+CH3COO]-	217.108151	175.7
[M+Na-2H]-	179.068966	138.5
[M]+	158.09375142	137.2
[M]-	158.09484858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe