CID 155858455

2580202-14-6

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

C=CCC1(COC1)OCC(=O)O

InChI

InChI=1S/C8H12O4/c1-2-3-8(5-11-6-8)12-4-7(9)10/h2H,1,3-6H2,(H,9,10)

InChIKey

VEZBIUUOMNZPEA-UHFFFAOYSA-N

Compound name

2-(3-prop-2-enyloxetan-3-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.07356 Da
Monoisotopic Mass: 0.3
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	137.9
[M+Na]+	195.06278	142.5
[M+NH4]+	190.10738	141.6
[M+K]+	211.03672	139.0
[M-H]-	171.06628	135.3
[M+Na-2H]-	193.04823	139.2
[M]+	172.07301	136.4
[M]-	172.07411	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.