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]+ 154.04987 125.9
[M+Na]+ 176.03181 134.8
[M-H]- 152.03531 130.3
[M+NH4]+ 171.07641 145.8
[M+K]+ 192.00575 135.9
[M+H-H2O]+ 136.03985 120.4
[M+HCOO]- 198.04079 146.6
[M+CH3COO]- 212.05644 172.5
[M+Na-2H]- 174.01726 134.8
[M]+ 153.04204 127.5
[M]- 153.04314 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.