CID 82593985

1062323-64-1

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CN=C(O1)CC(=O)C
InChI
InChI=1S/C7H9NO2/c1-5(9)3-7-8-4-6(2)10-7/h4H,3H2,1-2H3
InChIKey
PARCINOIMWBKPB-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,3-oxazol-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 125.9
[M+Na]+ 162.05254 135.1
[M-H]- 138.05604 129.3
[M+NH4]+ 157.09714 147.0
[M+K]+ 178.02648 135.7
[M+H-H2O]+ 122.06058 120.3
[M+HCOO]- 184.06152 149.3
[M+CH3COO]- 198.07717 173.0
[M+Na-2H]- 160.03799 131.9
[M]+ 139.06277 128.8
[M]- 139.06387 128.8
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