CID 71464225

1219694-49-1

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1COCC2=C(C=NN21)C(=O)O
InChI
InChI=1S/C7H8N2O3/c10-7(11)5-3-8-9-1-2-12-4-6(5)9/h3H,1-2,4H2,(H,10,11)
InChIKey
XITXYOZZKMCGFO-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

168.0535 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 131.6
[M+Na]+ 191.04272 139.6
[M-H]- 167.04622 132.7
[M+NH4]+ 186.08732 150.0
[M+K]+ 207.01666 139.3
[M+H-H2O]+ 151.05076 125.1
[M+HCOO]- 213.05170 149.4
[M+CH3COO]- 227.06735 173.5
[M+Na-2H]- 189.02817 137.8
[M]+ 168.05295 130.6
[M]- 168.05405 130.6
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.