CID 82595323

1239722-75-8

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1COC2=CC(=NN21)C(=O)O
InChI
InChI=1S/C6H6N2O3/c9-6(10)4-3-5-8(7-4)1-2-11-5/h3H,1-2H2,(H,9,10)
InChIKey
VIJQAWCUVDTCAZ-UHFFFAOYSA-N
Compound name
2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

154.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 127.6
[M+Na]+ 177.027058 136.8
[M-H]- 153.030564 129.3
[M+NH4]+ 172.071663 148.4
[M+K]+ 193.000998 137.0
[M+H-H2O]+ 137.035100 122.0
[M+HCOO]- 199.036041 147.9
[M+CH3COO]- 213.051691 170.5
[M+Na-2H]- 175.012506 132.7
[M]+ 154.03729142 128.4
[M]- 154.03838858 128.4
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

patents stripe