CID 45099126

23286-53-5

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CC1=NOC(=C1C(=O)OC)N

InChI

InChI=1S/C6H8N2O3/c1-3-4(6(9)10-2)5(7)11-8-3/h7H2,1-2H3

InChIKey

SSWHJCSREUYXIA-UHFFFAOYSA-N

Compound name

methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.0535 Da
Monoisotopic Mass: 0.8
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]+	157.06078	129.2
[M+Na]+	179.04272	138.8
[M-H]-	155.04622	132.6
[M+NH4]+	174.08732	149.2
[M+K]+	195.01666	139.6
[M+H-H2O]+	139.05076	123.3
[M+HCOO]-	201.05170	153.5
[M+CH3COO]-	215.06735	176.9
[M+Na-2H]-	177.02817	134.3
[M]+	156.05295	131.7
[M]-	156.05405	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe