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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 145.3
[M+Na]+ 234.08491 154.7
[M+NH4]+ 229.12951 151.8
[M+K]+ 250.05885 153.0
[M-H]- 210.08841 146.3
[M+Na-2H]- 232.07036 147.3
[M]+ 211.09514 146.5
[M]- 211.09624 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.