CID 53403015

473732-48-8

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCC(=O)C1=NOC(=C1)C
InChI
InChI=1S/C7H9NO2/c1-3-7(9)6-4-5(2)10-8-6/h4H,3H2,1-2H3
InChIKey
HTTOWFIYAYYAQD-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,2-oxazol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

139.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 125.9
[M+Na]+ 162.052538 135.1
[M-H]- 138.056044 129.3
[M+NH4]+ 157.097143 147.0
[M+K]+ 178.026478 135.7
[M+H-H2O]+ 122.060580 120.3
[M+HCOO]- 184.061521 149.3
[M+CH3COO]- 198.077171 173.0
[M+Na-2H]- 160.037986 131.9
[M]+ 139.06277142 128.8
[M]- 139.06386858 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