CID 2775139

107367-98-6

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKey
XEWJNPORMBGGKZ-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

233
Patents

217.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 145.5
[M+Na]+ 240.063118 154.3
[M-H]- 216.066624 150.9
[M+NH4]+ 235.107723 162.5
[M+K]+ 256.037058 152.5
[M+H-H2O]+ 200.071160 138.7
[M+HCOO]- 262.072101 167.5
[M+CH3COO]- 276.087751 184.4
[M+Na-2H]- 238.048566 149.9
[M]+ 217.07335142 147.7
[M]- 217.07444858 147.7
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