CID 105473476

1781524-81-9

Structural Information

Molecular Formula
C11H9NO4
SMILES
CC1=NOC(=C1C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-6-9(10(11(14)15)16-12-6)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H,14,15)
InChIKey
CMGKYTGEZQPQTL-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 145.5
[M+Na]+ 242.04238 158.0
[M+NH4]+ 237.08698 152.0
[M+K]+ 258.01632 156.0
[M-H]- 218.04588 147.9
[M+Na-2H]- 240.02783 150.9
[M]+ 219.05261 147.7
[M]- 219.05371 147.7
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.