CID 14439320

121604-64-6

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1COCC1C2=NOC(=C2)C=O
InChI
InChI=1S/C8H9NO3/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h3-4,6H,1-2,5H2
InChIKey
ISRDMSCRHFEPCF-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.2
[M+Na]+ 190.04746 139.3
[M-H]- 166.05096 137.9
[M+NH4]+ 185.09206 151.0
[M+K]+ 206.02140 140.6
[M+H-H2O]+ 150.05550 125.7
[M+HCOO]- 212.05644 153.8
[M+CH3COO]- 226.07209 174.2
[M+Na-2H]- 188.03291 136.4
[M]+ 167.05769 132.6
[M]- 167.05879 132.6
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.