CID 5995953

65527-85-7

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCOC(=O)/C=C(\C)/CO

InChI

InChI=1S/C7H12O3/c1-3-10-7(9)4-6(2)5-8/h4,8H,3,5H2,1-2H3/b6-4+

InChIKey

GJPOQWCBISWQSP-GQCTYLIASA-N

Compound name

ethyl (E)-4-hydroxy-3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 144.07864 Da
Monoisotopic Mass: 0.7
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]+	145.08592	131.5
[M+Na]+	167.06786	140.3
[M+NH4]+	162.11246	137.8
[M+K]+	183.04180	136.4
[M-H]-	143.07136	129.0
[M+Na-2H]-	165.05331	133.3
[M]+	144.07809	131.6
[M]-	144.07919	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe