CID 135421763

214854-34-9

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

COC1=C(C=CC(=C1)/C=N/N2C=NN=C2)O

InChI

InChI=1S/C10H10N4O2/c1-16-10-4-8(2-3-9(10)15)5-13-14-6-11-12-7-14/h2-7,15H,1H3/b13-5+

InChIKey

QRSNJXWHSDMEHC-WLRTZDKTSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.08037 Da
Monoisotopic Mass: 1.0
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]+	219.087646	145.2
[M+Na]+	241.069588	154.7
[M-H]-	217.073094	148.7
[M+NH4]+	236.114193	161.2
[M+K]+	257.043528	151.8
[M+H-H2O]+	201.077630	136.0
[M+HCOO]-	263.078571	169.4
[M+CH3COO]-	277.094221	187.9
[M+Na-2H]-	239.055036	151.9
[M]+	218.07982142	147.3
[M]-	218.08091858	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.