CID 14732444

87318-62-5

Structural Information

Molecular Formula

SMILES

COC(=O)CC1=CC(=O)NO1

InChI

InChI=1S/C6H7NO4/c1-10-6(9)3-4-2-5(8)7-11-4/h2H,3H2,1H3,(H,7,8)

InChIKey

RNNMVKUQSARIFE-UHFFFAOYSA-N

Compound name

methyl 2-(3-oxo-1,2-oxazol-5-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 157.0375 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]+	158.044776	127.1
[M+Na]+	180.026718	136.4
[M-H]-	156.030224	129.2
[M+NH4]+	175.071323	146.5
[M+K]+	196.000658	136.6
[M+H-H2O]+	140.034760	121.5
[M+HCOO]-	202.035701	149.9
[M+CH3COO]-	216.051351	170.1
[M+Na-2H]-	178.012166	133.1
[M]+	157.03695142	129.8
[M]-	157.03804858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe