CID 20269040

88585-23-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

COC1=C(C=NN1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H10N2O3/c1-16-10-9(11(14)15)7-12-13(10)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)

InChIKey

JCVMAHWBQFWHQM-UHFFFAOYSA-N

Compound name

5-methoxy-1-phenylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 218.06914 Da
Monoisotopic Mass: 1.7
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]+	219.07642	144.9
[M+Na]+	241.05836	154.0
[M-H]-	217.06186	148.5
[M+NH4]+	236.10296	161.7
[M+K]+	257.03230	151.4
[M+H-H2O]+	201.06640	137.1
[M+HCOO]-	263.06734	166.8
[M+CH3COO]-	277.08299	184.2
[M+Na-2H]-	239.04381	149.0
[M]+	218.06859	146.6
[M]-	218.06969	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe