CID 203735

P-326

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CC1=NN(C(=C1)OCC2CO2)C3=CC=CC=C3

InChI

InChI=1S/C13H14N2O2/c1-10-7-13(17-9-12-8-16-12)15(14-10)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3

InChIKey

HFIKTDAWTDZAEU-UHFFFAOYSA-N

Compound name

3-methyl-5-(oxiran-2-ylmethoxy)-1-phenylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 230.10553 Da
Monoisotopic Mass: 2.3
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]+	231.11281	154.4
[M+Na]+	253.09475	170.0
[M+NH4]+	248.13935	163.1
[M+K]+	269.06869	166.2
[M-H]-	229.09825	166.5
[M+Na-2H]-	251.08020	165.0
[M]+	230.10498	161.3
[M]-	230.10608	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe