CID 45090037

98136-12-0

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

COC(=O)C1CC(=O)CO1

InChI

InChI=1S/C6H8O4/c1-9-6(8)5-2-4(7)3-10-5/h5H,2-3H2,1H3

InChIKey

WUHVSNZGUSYYOW-UHFFFAOYSA-N

Compound name

methyl 4-oxooxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 144.04225 Da
Monoisotopic Mass: -0.4
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]+	145.049526	125.3
[M+Na]+	167.031468	133.0
[M-H]-	143.034974	129.6
[M+NH4]+	162.076073	147.1
[M+K]+	183.005408	134.6
[M+H-H2O]+	127.039510	120.8
[M+HCOO]-	189.040451	148.0
[M+CH3COO]-	203.056101	170.7
[M+Na-2H]-	165.016916	130.2
[M]+	144.04170142	126.6
[M]-	144.04279858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe