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

23
Patents

203.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 141.0
[M+Na]+ 226.04746 149.3
[M-H]- 202.05096 146.2
[M+NH4]+ 221.09206 158.2
[M+K]+ 242.02140 147.8
[M+H-H2O]+ 186.05550 134.1
[M+HCOO]- 248.05644 163.4
[M+CH3COO]- 262.07209 180.2
[M+Na-2H]- 224.03291 146.6
[M]+ 203.05769 142.4
[M]- 203.05879 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