CID 16100346

226916-19-4

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

C1CC2(CC(=C1)/C=C/C(=O)O)OCCO2

InChI

InChI=1S/C11H14O4/c12-10(13)4-3-9-2-1-5-11(8-9)14-6-7-15-11/h2-4H,1,5-8H2,(H,12,13)/b4-3+

InChIKey

FWFDDYZZFODCDR-ONEGZZNKSA-N

Compound name

(E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 210.0892 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]+	211.09648	146.7
[M+Na]+	233.07842	155.7
[M+NH4]+	228.12302	155.2
[M+K]+	249.05236	151.5
[M-H]-	209.08192	149.9
[M+Na-2H]-	231.06387	150.4
[M]+	210.08865	148.7
[M]-	210.08975	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe