CID 4530104

3,4-diaminobenzhydrazide

Structural Information

Molecular Formula

C₇H₁₀N₄O

SMILES

C1=CC(=C(C=C1C(=O)NN)N)N

InChI

InChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)

InChIKey

YGCXQTYRSKMILM-UHFFFAOYSA-N

Compound name

3,4-diaminobenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 445
Patents: 166.08546 Da
Monoisotopic Mass: -1.5
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]+	167.09274	134.1
[M+Na]+	189.07468	142.3
[M+NH4]+	184.11928	141.0
[M+K]+	205.04862	138.7
[M-H]-	165.07818	137.0
[M+Na-2H]-	187.06013	139.1
[M]+	166.08491	135.5
[M]-	166.08601	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe