CID 12196361

54258-26-3

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC(=O)C1=CC(=NO1)OC
InChI
InChI=1S/C6H7NO3/c1-4(8)5-3-6(9-2)7-10-5/h3H,1-2H3
InChIKey
MULBTORUXNWBGZ-UHFFFAOYSA-N
Compound name
1-(3-methoxy-1,2-oxazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

141.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.0
[M+Na]+ 164.031808 133.5
[M-H]- 140.035314 127.6
[M+NH4]+ 159.076413 144.9
[M+K]+ 180.005748 134.8
[M+H-H2O]+ 124.039850 118.4
[M+HCOO]- 186.040791 148.0
[M+CH3COO]- 200.056441 172.1
[M+Na-2H]- 162.017256 130.5
[M]+ 141.04204142 128.0
[M]- 141.04313858 128.0
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