CID 4244905

2-(oxolan-3-yl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1COCC1CC(=O)O

InChI

InChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)

InChIKey

JSWKBJIKVSXWDJ-UHFFFAOYSA-N

Compound name

2-(oxolan-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 309
Patents: 130.06299 Da
Monoisotopic Mass: 0.0
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]+	131.07027	125.6
[M+Na]+	153.05221	131.6
[M-H]-	129.05571	128.0
[M+NH4]+	148.09681	147.0
[M+K]+	169.02615	132.4
[M+H-H2O]+	113.06025	120.9
[M+HCOO]-	175.06119	146.3
[M+CH3COO]-	189.07684	166.4
[M+Na-2H]-	151.03766	130.4
[M]+	130.06244	123.8
[M]-	130.06354	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe