CID 228726

2-(oxolan-2-yl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC(OC1)CC(=O)O

InChI

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

InChIKey

IEDVQOXHVRVPIX-UHFFFAOYSA-N

Compound name

2-(oxolan-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 536
Patents: 130.06299 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]+	131.070266	125.6
[M+Na]+	153.052208	131.6
[M-H]-	129.055714	128.0
[M+NH4]+	148.096813	147.0
[M+K]+	169.026148	132.4
[M+H-H2O]+	113.060250	120.9
[M+HCOO]-	175.061191	146.3
[M+CH3COO]-	189.076841	166.4
[M+Na-2H]-	151.037656	130.4
[M]+	130.06244142	123.8
[M]-	130.06353858	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe