CID 14920524

159015-07-3

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC1=COC(=N1)C=O
InChI
InChI=1S/C5H5NO2/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
InChIKey
WQFUYXRLSRTPKS-UHFFFAOYSA-N
Compound name
4-methyl-1,3-oxazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

111.03203 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.039306 115.8
[M+Na]+ 134.021248 126.2
[M-H]- 110.024754 119.4
[M+NH4]+ 129.065853 138.1
[M+K]+ 149.995188 126.8
[M+H-H2O]+ 94.029290 110.6
[M+HCOO]- 156.030231 140.9
[M+CH3COO]- 170.045881 166.1
[M+Na-2H]- 132.006696 124.2
[M]+ 111.03148142 118.7
[M]- 111.03257858 118.7
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