CID 68805787

87529-17-7

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

CCOC(=O)C1=NOC(=C1C)N

InChI

InChI=1S/C7H10N2O3/c1-3-11-7(10)5-4(2)6(8)12-9-5/h3,8H2,1-2H3

InChIKey

JWQHWEVODFTXEJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.06914 Da
Monoisotopic Mass: 0.9
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]+	171.07642	134.0
[M+Na]+	193.05836	143.1
[M-H]-	169.06186	137.2
[M+NH4]+	188.10296	153.4
[M+K]+	209.03230	143.6
[M+H-H2O]+	153.06640	127.9
[M+HCOO]-	215.06734	157.9
[M+CH3COO]-	229.08299	179.9
[M+Na-2H]-	191.04381	138.5
[M]+	170.06859	136.8
[M]-	170.06969	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe