CID 165652575

2751614-44-3

Structural Information

Molecular Formula

C₉H₁₃N₃O₃

SMILES

CCOC(=O)C1=NN2CC(COC2=C1)N

InChI

InChI=1S/C9H13N3O3/c1-2-14-9(13)7-3-8-12(11-7)4-6(10)5-15-8/h3,6H,2,4-5,10H2,1H3

InChIKey

QTYPBYTYSJNBDN-UHFFFAOYSA-N

Compound name

ethyl 6-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.09569 Da
Monoisotopic Mass: -0.1
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]+	212.102966	145.0
[M+Na]+	234.084908	152.6
[M-H]-	210.088414	146.9
[M+NH4]+	229.129513	162.1
[M+K]+	250.058848	152.2
[M+H-H2O]+	194.092950	137.7
[M+HCOO]-	256.093891	164.0
[M+CH3COO]-	270.109541	187.0
[M+Na-2H]-	232.070356	149.3
[M]+	211.09514142	145.1
[M]-	211.09623858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.