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

36
Patents

169.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.9
[M+Na]+ 192.02672 137.9
[M-H]- 168.03022 133.1
[M+NH4]+ 187.07132 148.3
[M+K]+ 208.00066 139.1
[M+H-H2O]+ 152.03476 124.5
[M+HCOO]- 214.03570 148.2
[M+CH3COO]- 228.05135 173.1
[M+Na-2H]- 190.01217 137.2
[M]+ 169.03695 130.5
[M]- 169.03805 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