CID 7020764

139272-29-0

Structural Information

Molecular Formula

C₈H₁₃N₃O₂S

SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)NN

InChI

InChI=1S/C8H13N3O2S/c1-10-14(12,13)6-7-2-4-8(11-9)5-3-7/h2-5,10-11H,6,9H2,1H3

InChIKey

DZODFXKLAFRYEC-UHFFFAOYSA-N

Compound name

1-(4-hydrazinylphenyl)-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 113
Patents: 215.07285 Da
Monoisotopic Mass: 0.1
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]+	216.080126	143.1
[M+Na]+	238.062068	149.9
[M-H]-	214.065574	146.3
[M+NH4]+	233.106673	160.9
[M+K]+	254.036008	146.5
[M+H-H2O]+	198.070110	136.4
[M+HCOO]-	260.071051	163.9
[M+CH3COO]-	274.086701	190.4
[M+Na-2H]-	236.047516	148.8
[M]+	215.07230142	142.5
[M]-	215.07339858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe