CID 84040260

1555667-48-5

Structural Information

Molecular Formula
C7H7ClN2O3
SMILES
C1CN2C(=C(C(=N2)C(=O)O)Cl)OC1
InChI
InChI=1S/C7H7ClN2O3/c8-4-5(7(11)12)9-10-2-1-3-13-6(4)10/h1-3H2,(H,11,12)
InChIKey
FYDHOBXBYAGXQB-UHFFFAOYSA-N
Compound name
3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.01453 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02181 137.8
[M+Na]+ 225.00375 147.4
[M-H]- 201.00725 139.0
[M+NH4]+ 220.04835 155.9
[M+K]+ 240.97769 145.2
[M+H-H2O]+ 185.01179 132.0
[M+HCOO]- 247.01273 150.8
[M+CH3COO]- 261.02838 178.5
[M+Na-2H]- 222.98920 142.8
[M]+ 202.01398 139.0
[M]- 202.01508 139.0
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.