CID 495826

4-methyl-2-phenyl-2-oxazoline-5-one

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1C(=O)OC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO2/c1-7-10(12)13-9(11-7)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
HHPTWKXNGPGQJH-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-4H-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

175.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.5
[M+Na]+ 198.05254 143.0
[M-H]- 174.05604 140.2
[M+NH4]+ 193.09714 153.0
[M+K]+ 214.02648 141.8
[M+H-H2O]+ 158.06058 127.0
[M+HCOO]- 220.06152 157.1
[M+CH3COO]- 234.07717 178.3
[M+Na-2H]- 196.03799 139.7
[M]+ 175.06277 134.6
[M]- 175.06387 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe