CID 53946691

5-chloro-3-methyl-1,2-oxazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
CC1=NOC(=C1C=O)Cl
InChI
InChI=1S/C5H4ClNO2/c1-3-4(2-8)5(6)9-7-3/h2H,1H3
InChIKey
JBNSMJAWLKIXIZ-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.99306 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.000336 122.4
[M+Na]+ 167.982278 134.3
[M-H]- 143.985784 126.1
[M+NH4]+ 163.026883 144.3
[M+K]+ 183.956218 132.9
[M+H-H2O]+ 127.990320 117.9
[M+HCOO]- 189.991261 142.7
[M+CH3COO]- 204.006911 171.2
[M+Na-2H]- 165.967726 129.4
[M]+ 144.99251142 127.3
[M]- 144.99360858 127.3
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