CID 135449248

35546-64-6

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₂

SMILES

CCOC1=C(C=CC(=C1)/C=N/N2C=NN=C2)O

InChI

InChI=1S/C11H12N4O2/c1-2-17-11-5-9(3-4-10(11)16)6-14-15-7-12-13-8-15/h3-8,16H,2H2,1H3/b14-6+

InChIKey

HSFWYOMSBYLXGW-MKMNVTDBSA-N

Compound name

2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 232.09602 Da
Monoisotopic Mass: 1.1
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]+	233.10330	149.7
[M+Na]+	255.08524	158.7
[M-H]-	231.08874	153.0
[M+NH4]+	250.12984	165.1
[M+K]+	271.05918	155.6
[M+H-H2O]+	215.09328	140.3
[M+HCOO]-	277.09422	173.5
[M+CH3COO]-	291.10987	190.9
[M+Na-2H]-	253.07069	155.8
[M]+	232.09547	152.1
[M]-	232.09657	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.