CID 1278801

3919-84-4

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)CC(=O)O
InChI
InChI=1S/C11H9NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14)
InChIKey
KFCWSQHYEKCVRW-UHFFFAOYSA-N
Compound name
2-(3-phenyl-1,2-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

203.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 141.0
[M+Na]+ 226.047458 149.3
[M-H]- 202.050964 146.2
[M+NH4]+ 221.092063 158.2
[M+K]+ 242.021398 147.8
[M+H-H2O]+ 186.055500 134.1
[M+HCOO]- 248.056441 163.4
[M+CH3COO]- 262.072091 180.2
[M+Na-2H]- 224.032906 146.6
[M]+ 203.05769142 142.4
[M]- 203.05878858 142.4
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

patents stripe