CID 10850588

612511-84-9

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

CCOC(=O)C1=NOC(=C1)CN

InChI

InChI=1S/C7H10N2O3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4,8H2,1H3

InChIKey

OJXTUWSIXVDNAL-UHFFFAOYSA-N

Compound name

ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 170.06914 Da
Monoisotopic Mass: -0.2
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	134.9
[M+Na]+	193.05836	144.4
[M+NH4]+	188.10296	141.3
[M+K]+	209.03230	142.8
[M-H]-	169.06186	135.9
[M+Na-2H]-	191.04381	138.3
[M]+	170.06859	136.1
[M]-	170.06969	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe