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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.060436	144.0
[M+Na]+	242.042378	153.6
[M-H]-	218.045884	148.7
[M+NH4]+	237.086983	160.4
[M+K]+	258.016318	151.8
[M+H-H2O]+	202.050420	137.7
[M+HCOO]-	264.051361	165.0
[M+CH3COO]-	278.067011	182.4
[M+Na-2H]-	240.027826	147.8
[M]+	219.05261142	145.9
[M]-	219.05370858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.