CID 72700

Isophthalic dihydrazide

Structural Information

Molecular Formula

C₈H₁₀N₄O₂

SMILES

C1=CC(=CC(=C1)C(=O)NN)C(=O)NN

InChI

InChI=1S/C8H10N4O2/c9-11-7(13)5-2-1-3-6(4-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)

InChIKey

UTTHLMXOSUFZCQ-UHFFFAOYSA-N

Compound name

benzene-1,3-dicarbohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 14610
Patents: 194.08037 Da
Monoisotopic Mass: -0.9
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]+	195.08765	141.4
[M+Na]+	217.06959	148.6
[M+NH4]+	212.11419	147.3
[M+K]+	233.04353	145.5
[M-H]-	193.07309	143.4
[M+Na-2H]-	215.05504	145.9
[M]+	194.07982	142.3
[M]-	194.08092	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe