CID 15630344

91137-53-0

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=NC(=C(O1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-7-12-9(11(13)14)10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKey
GEAPKHXZFUKEDK-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

203.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.7
[M+Na]+ 226.047458 150.0
[M-H]- 202.050964 146.4
[M+NH4]+ 221.092063 158.3
[M+K]+ 242.021398 148.5
[M+H-H2O]+ 186.055500 134.1
[M+HCOO]- 248.056441 163.1
[M+CH3COO]- 262.072091 181.4
[M+Na-2H]- 224.032906 145.7
[M]+ 203.05769142 142.6
[M]- 203.05878858 142.6
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