CID 67478262

1-(1,3-oxazol-4-yl)propan-1-one

Structural Information

Molecular Formula
C6H7NO2
SMILES
CCC(=O)C1=COC=N1
InChI
InChI=1S/C6H7NO2/c1-2-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3
InChIKey
ZNTDEOZKMJPCDH-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

125.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 121.8
[M+Na]+ 148.03689 130.5
[M-H]- 124.04040 125.0
[M+NH4]+ 143.08150 143.1
[M+K]+ 164.01083 131.3
[M+H-H2O]+ 108.04494 116.1
[M+HCOO]- 170.04588 145.5
[M+CH3COO]- 184.06153 168.9
[M+Na-2H]- 146.02234 129.0
[M]+ 125.04713 124.0
[M]- 125.04822 124.0
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