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: 418
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]+	167.092736	133.3
[M+Na]+	189.074678	140.1
[M-H]-	165.078184	136.2
[M+NH4]+	184.119283	152.0
[M+K]+	205.048618	138.0
[M+H-H2O]+	149.082720	126.6
[M+HCOO]-	211.083661	160.0
[M+CH3COO]-	225.099311	187.6
[M+Na-2H]-	187.060126	137.7
[M]+	166.08491142	127.2
[M]-	166.08600858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe