CID 65442

5919-74-4

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

CC(=C)C(=O)OCC(CO)O

InChI

InChI=1S/C7H12O4/c1-5(2)7(10)11-4-6(9)3-8/h6,8-9H,1,3-4H2,2H3

InChIKey

QRIMLDXJAPZHJE-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 60
References: 40900
Patents: 160.07356 Da
Monoisotopic Mass: -0.1
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]+	161.08084	134.4
[M+Na]+	183.06278	140.3
[M-H]-	159.06628	131.9
[M+NH4]+	178.10738	153.7
[M+K]+	199.03672	140.1
[M+H-H2O]+	143.07082	130.0
[M+HCOO]-	205.07176	153.3
[M+CH3COO]-	219.08741	173.1
[M+Na-2H]-	181.04823	136.2
[M]+	160.07301	134.6
[M]-	160.07411	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe