CID 11206014

195000-66-9

Structural Information

Molecular Formula

C₈H₁₀O₄

SMILES

CC(=C)C(=O)OC1CCOC1=O

InChI

InChI=1S/C8H10O4/c1-5(2)7(9)12-6-3-4-11-8(6)10/h6H,1,3-4H2,2H3

InChIKey

QSUJHKWXLIQKEY-UHFFFAOYSA-N

Compound name

(2-oxooxolan-3-yl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3856
Patents: 170.0579 Da
Monoisotopic Mass: 1.2
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]+	171.065176	133.7
[M+Na]+	193.047118	140.6
[M-H]-	169.050624	137.8
[M+NH4]+	188.091723	154.3
[M+K]+	209.021058	141.6
[M+H-H2O]+	153.055160	129.0
[M+HCOO]-	215.056101	154.9
[M+CH3COO]-	229.071751	176.8
[M+Na-2H]-	191.032566	136.3
[M]+	170.05735142	134.3
[M]-	170.05844858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe