CID 14786609

1,3-oxazole-2-carboxaldehyde

Structural Information

Molecular Formula
C4H3NO2
SMILES
C1=COC(=N1)C=O
InChI
InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H
InChIKey
TYHOSUCCUICRLM-UHFFFAOYSA-N
Compound name
1,3-oxazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2049
Patents

97.01638 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.023656 111.6
[M+Na]+ 120.00560 121.4
[M-H]- 96.009104 115.0
[M+NH4]+ 115.05020 134.1
[M+K]+ 135.97954 122.4
[M+H-H2O]+ 80.013640 106.2
[M+HCOO]- 142.01458 137.0
[M+CH3COO]- 156.03023 162.0
[M+Na-2H]- 117.99105 121.2
[M]+ 97.015831 113.7
[M]- 97.016929 113.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe