CID 83863029

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

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1COCC2=C1ON=C2C=O
InChI
InChI=1S/C7H7NO3/c9-3-6-5-4-10-2-1-7(5)11-8-6/h3H,1-2,4H2
InChIKey
UGMNBYCRRRDBSF-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.04259 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 125.9
[M+Na]+ 176.031808 134.8
[M-H]- 152.035314 130.3
[M+NH4]+ 171.076413 145.8
[M+K]+ 192.005748 135.9
[M+H-H2O]+ 136.039850 120.4
[M+HCOO]- 198.040791 146.6
[M+CH3COO]- 212.056441 172.5
[M+Na-2H]- 174.017256 134.8
[M]+ 153.04204142 127.5
[M]- 153.04313858 127.5
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

No patent data available for this compound.