CID 5200331

854702-18-4

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

C1CC(OC1)COCC(=O)O

InChI

InChI=1S/C7H12O4/c8-7(9)5-10-4-6-2-1-3-11-6/h6H,1-5H2,(H,8,9)

InChIKey

WUSSSFZIJIQZKA-UHFFFAOYSA-N

Compound name

2-(oxolan-2-ylmethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 42
Patents: 160.07356 Da
Monoisotopic Mass: 0.1
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	133.3
[M+Na]+	183.06278	141.4
[M+NH4]+	178.10738	140.2
[M+K]+	199.03672	139.9
[M-H]-	159.06628	133.7
[M+Na-2H]-	181.04823	135.4
[M]+	160.07301	134.1
[M]-	160.07411	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe