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
1
Annotation Hits

9
References

209
Patents

217.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 146.4
[M+Na]+ 240.06312 159.4
[M+NH4]+ 235.10772 153.7
[M+K]+ 256.03706 156.1
[M-H]- 216.06662 149.7
[M+Na-2H]- 238.04857 152.9
[M]+ 217.07335 149.1
[M]- 217.07445 149.1
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