CID 155858280

2112769-27-2

Structural Information

Molecular Formula
C8H9ClN2O3
SMILES
COC(=O)C1=NN2CCOCC2=C1Cl
InChI
InChI=1S/C8H9ClN2O3/c1-13-8(12)7-6(9)5-4-14-3-2-11(5)10-7/h2-4H2,1H3
InChIKey
AMFBRRCIJDMCTE-UHFFFAOYSA-N
Compound name
methyl 3-chloro-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

0
Patents

216.03017 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03745 142.2
[M+Na]+ 239.01939 151.9
[M-H]- 215.02289 144.6
[M+NH4]+ 234.06399 160.6
[M+K]+ 254.99333 150.4
[M+H-H2O]+ 199.02743 136.0
[M+HCOO]- 261.02837 156.4
[M+CH3COO]- 275.04402 183.4
[M+Na-2H]- 237.00484 147.1
[M]+ 216.02962 145.5
[M]- 216.03072 145.5
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.