CID 169922

37443-42-8

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(=O)C1CCCO1

InChI

InChI=1S/C6H10O3/c1-8-6(7)5-3-2-4-9-5/h5H,2-4H2,1H3

InChIKey

IXHZGHPQQTXOKV-UHFFFAOYSA-N

Compound name

methyl oxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 379
Patents: 130.06299 Da
Monoisotopic Mass: 0.5
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	124.9
[M+Na]+	153.05221	131.4
[M-H]-	129.05571	128.8
[M+NH4]+	148.09681	147.1
[M+K]+	169.02615	133.2
[M+H-H2O]+	113.06025	120.1
[M+HCOO]-	175.06119	147.2
[M+CH3COO]-	189.07684	168.4
[M+Na-2H]-	151.03766	130.3
[M]+	130.06244	125.0
[M]-	130.06354	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe