CID 60131795

10525-59-4

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

CC(=C)C(=O)OCC1COCO1

InChI

InChI=1S/C8H12O4/c1-6(2)8(9)11-4-7-3-10-5-12-7/h7H,1,3-5H2,2H3

InChIKey

GJGBXCGXKNONJU-UHFFFAOYSA-N

Compound name

1,3-dioxolan-4-ylmethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 128
Patents: 172.07356 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]+	173.08084	136.7
[M+Na]+	195.06278	142.4
[M-H]-	171.06628	141.0
[M+NH4]+	190.10738	155.7
[M+K]+	211.03672	144.8
[M+H-H2O]+	155.07082	131.8
[M+HCOO]-	217.07176	156.7
[M+CH3COO]-	231.08741	176.7
[M+Na-2H]-	193.04823	140.7
[M]+	172.07301	138.2
[M]-	172.07411	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe