CID 80513

6292-68-8

Structural Information

Molecular Formula

C₆H₁₄N₄O₂S

SMILES

C(CSCCC(=O)NN)C(=O)NN

InChI

InChI=1S/C6H14N4O2S/c7-9-5(11)1-3-13-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)

InChIKey

BFPOTPQZZKKKIR-UHFFFAOYSA-N

Compound name

3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanehydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 206.08374 Da
Monoisotopic Mass: -2.1
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]+	207.09102	143.3
[M+Na]+	229.07296	146.8
[M-H]-	205.07646	142.0
[M+NH4]+	224.11756	160.3
[M+K]+	245.04690	144.9
[M+H-H2O]+	189.08100	135.9
[M+HCOO]-	251.08194	162.6
[M+CH3COO]-	265.09759	192.6
[M+Na-2H]-	227.05841	144.0
[M]+	206.08319	141.0
[M]-	206.08429	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe