CID 19596543

21053-25-8

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=CC=C(C=C1)C2=CC(=O)NO2
InChI
InChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)11-13-9/h2-6H,1H3,(H,11,12)
InChIKey
AWYXDNPIIRBIMO-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

175.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.0
[M+Na]+ 198.05254 143.2
[M-H]- 174.05604 138.7
[M+NH4]+ 193.09714 152.0
[M+K]+ 214.02648 140.8
[M+H-H2O]+ 158.06058 126.7
[M+HCOO]- 220.06152 156.5
[M+CH3COO]- 234.07717 175.5
[M+Na-2H]- 196.03799 139.7
[M]+ 175.06277 133.8
[M]- 175.06387 133.8
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