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]+ 182.08118 135.9
[M+Na]+ 204.06312 142.8
[M-H]- 180.06662 142.1
[M+NH4]+ 199.10772 153.3
[M+K]+ 220.03706 143.7
[M+H-H2O]+ 164.07116 129.3
[M+HCOO]- 226.07210 156.1
[M+CH3COO]- 240.08775 177.1
[M+Na-2H]- 202.04857 142.0
[M]+ 181.07335 135.4
[M]- 181.07445 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