CID 3049410

Brn 0662855

Structural Information

Molecular Formula

C₁₁H₁₀N₄O₂

SMILES

COC1=CC(=C(C=C1)OC)NN=C(C#N)C#N

InChI

InChI=1S/C11H10N4O2/c1-16-9-3-4-11(17-2)10(5-9)15-14-8(6-12)7-13/h3-5,15H,1-2H3

InChIKey

UWQBZHPYULOGRB-UHFFFAOYSA-N

Compound name

2-[(2,5-dimethoxyphenyl)hydrazinylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.08037 Da
Monoisotopic Mass: 2.7
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]+	231.087646	161.3
[M+Na]+	253.069588	169.9
[M-H]-	229.073094	165.2
[M+NH4]+	248.114193	172.8
[M+K]+	269.043528	168.1
[M+H-H2O]+	213.077630	145.2
[M+HCOO]-	275.078571	175.8
[M+CH3COO]-	289.094221	225.0
[M+Na-2H]-	251.055036	163.1
[M]+	230.07982142	154.7
[M]-	230.08091858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.