CID 13159077

90892-97-0

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=COC(=N1)C(=O)C
InChI
InChI=1S/C6H7NO2/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3
InChIKey
QWCWQBUXEVVGJY-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-oxazol-2-yl)ethanone
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 121.1
[M+Na]+ 148.03689 130.7
[M-H]- 124.04040 124.7
[M+NH4]+ 143.08150 142.7
[M+K]+ 164.01083 131.6
[M+H-H2O]+ 108.04494 115.7
[M+HCOO]- 170.04588 144.8
[M+CH3COO]- 184.06153 170.0
[M+Na-2H]- 146.02234 127.6
[M]+ 125.04713 123.7
[M]- 125.04822 123.7
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