CID 97626663

1707374-70-6

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC(=O)C1=NOC2=C1COCC2
InChI
InChI=1S/C8H9NO4/c1-11-8(10)7-5-4-12-3-2-6(5)13-9-7/h2-4H2,1H3
InChIKey
MZKMOPKJHUTVFX-UHFFFAOYSA-N
Compound name
methyl 6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 135.3
[M+Na]+ 206.04238 146.3
[M+NH4]+ 201.08698 142.9
[M+K]+ 222.01632 144.6
[M-H]- 182.04588 138.0
[M+Na-2H]- 204.02783 138.2
[M]+ 183.05261 137.4
[M]- 183.05371 137.4
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

No patent data available for this compound.