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

27
Patents

175.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 133.0
[M+Na]+ 198.052538 143.2
[M-H]- 174.056044 138.7
[M+NH4]+ 193.097143 152.0
[M+K]+ 214.026478 140.8
[M+H-H2O]+ 158.060580 126.7
[M+HCOO]- 220.061521 156.5
[M+CH3COO]- 234.077171 175.5
[M+Na-2H]- 196.037986 139.7
[M]+ 175.06277142 133.8
[M]- 175.06386858 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