CID 165996543

6-methylidene-5h,6h,7h-pyrazolo[3,2-b][1,3]oxazine-2-carboxylic acid

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C=C1CN2C(=CC(=N2)C(=O)O)OC1
InChI
InChI=1S/C8H8N2O3/c1-5-3-10-7(13-4-5)2-6(9-10)8(11)12/h2H,1,3-4H2,(H,11,12)
InChIKey
RVJDJOFFXJMYHX-UHFFFAOYSA-N
Compound name
6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 135.3
[M+Na]+ 203.042718 144.1
[M-H]- 179.046224 136.6
[M+NH4]+ 198.087323 153.4
[M+K]+ 219.016658 142.8
[M+H-H2O]+ 163.050760 129.0
[M+HCOO]- 225.051701 152.9
[M+CH3COO]- 239.067351 176.9
[M+Na-2H]- 201.028166 140.3
[M]+ 180.05295142 134.3
[M]- 180.05404858 134.3
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.