CID 115015821

2-(oxan-4-yl)-1,3-oxazole-5-carbaldehyde

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1COCCC1C2=NC=C(O2)C=O
InChI
InChI=1S/C9H11NO3/c11-6-8-5-10-9(13-8)7-1-3-12-4-2-7/h5-7H,1-4H2
InChIKey
CZFRADFGWXLNLF-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)-1,3-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 135.9
[M+Na]+ 204.063118 142.8
[M-H]- 180.066624 142.1
[M+NH4]+ 199.107723 153.3
[M+K]+ 220.037058 143.7
[M+H-H2O]+ 164.071160 129.3
[M+HCOO]- 226.072101 156.1
[M+CH3COO]- 240.087751 177.1
[M+Na-2H]- 202.048566 142.0
[M]+ 181.07335142 135.4
[M]- 181.07444858 135.4
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

patents stripe