CID 72719

Nitrazine

Structural Information

Molecular Formula

C₆H₁₅N₇O₃

SMILES

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

InChI

InChI=1S/C6H15N7O3/c7-10-4(14)1-13(2-5(15)11-8)3-6(16)12-9/h1-3,7-9H2,(H,10,14)(H,11,15)(H,12,16)

InChIKey

KGSXKXWCVWJCIW-UHFFFAOYSA-N

Compound name

2-[bis(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 260
Patents: 233.12364 Da
Monoisotopic Mass: -3.9
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]+	234.13092	147.3
[M+Na]+	256.11286	148.9
[M-H]-	232.11636	147.5
[M+NH4]+	251.15746	161.9
[M+K]+	272.08680	151.2
[M+H-H2O]+	216.12090	138.4
[M+HCOO]-	278.12184	174.7
[M+CH3COO]-	292.13749	210.3
[M+Na-2H]-	254.09831	148.6
[M]+	233.12309	140.9
[M]-	233.12419	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe