CID 44245036

909570-34-9

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

C=CCOCCOCC(=O)O

InChI

InChI=1S/C7H12O4/c1-2-3-10-4-5-11-6-7(8)9/h2H,1,3-6H2,(H,8,9)

InChIKey

CAHUGPPCEATIHE-UHFFFAOYSA-N

Compound name

2-(2-prop-2-enoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 160.07356 Da
Monoisotopic Mass: 0.2
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]+	161.08084	132.9
[M+Na]+	183.06278	139.6
[M-H]-	159.06628	131.6
[M+NH4]+	178.10738	152.9
[M+K]+	199.03672	139.3
[M+H-H2O]+	143.07082	128.1
[M+HCOO]-	205.07176	155.3
[M+CH3COO]-	219.08741	174.5
[M+Na-2H]-	181.04823	137.8
[M]+	160.07301	136.5
[M]-	160.07411	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe