CID 67170407

4h,6h,7h-pyrano[3,4-d][1,2]oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1COCC2=C1ON=C2C(=O)O
InChI
InChI=1S/C7H7NO4/c9-7(10)6-4-3-11-2-1-5(4)12-8-6/h1-3H2,(H,9,10)
InChIKey
KYLRPSOCSSHQKY-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

169.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 129.9
[M+Na]+ 192.026718 137.9
[M-H]- 168.030224 133.1
[M+NH4]+ 187.071323 148.3
[M+K]+ 208.000658 139.1
[M+H-H2O]+ 152.034760 124.5
[M+HCOO]- 214.035701 148.2
[M+CH3COO]- 228.051351 173.1
[M+Na-2H]- 190.012166 137.2
[M]+ 169.03695142 130.5
[M]- 169.03804858 130.5
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

patents stripe