CID 57367961

1240599-64-7

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C(C=C1)C2=C(OC=N2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-10(13)9-8(11-6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
FMAQWBASBDYDPJ-UHFFFAOYSA-N
Compound name
4-phenyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04259 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 136.3
[M+Na]+ 212.03181 145.0
[M-H]- 188.03531 141.7
[M+NH4]+ 207.07641 154.1
[M+K]+ 228.00575 143.7
[M+H-H2O]+ 172.03985 129.6
[M+HCOO]- 234.04079 159.0
[M+CH3COO]- 248.05644 177.2
[M+Na-2H]- 210.01726 142.4
[M]+ 189.04204 137.4
[M]- 189.04314 137.4
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

No patent data available for this compound.