CID 11845785

Ethyl 6,7-dihydro-4h-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCOC(=O)C1=NN2CCOCC2=C1
InChI
InChI=1S/C9H12N2O3/c1-2-14-9(12)8-5-7-6-13-4-3-11(7)10-8/h5H,2-4,6H2,1H3
InChIKey
OXKHHZJNEHYAPB-UHFFFAOYSA-N
Compound name
ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

196.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.6
[M+Na]+ 219.07402 148.2
[M-H]- 195.07752 142.7
[M+NH4]+ 214.11862 158.7
[M+K]+ 235.04796 148.3
[M+H-H2O]+ 179.08206 133.5
[M+HCOO]- 241.08300 159.2
[M+CH3COO]- 255.09865 181.4
[M+Na-2H]- 217.05947 146.2
[M]+ 196.08425 142.0
[M]- 196.08535 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe