CID 840007

53153-59-6

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)14(12,13)10-11(2)3/h4-7,10H,1-3H3

InChIKey

ZGKOFNKFGIVSDI-UHFFFAOYSA-N

Compound name

N',N',4-trimethylbenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 6
Patents: 214.0776 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]+	215.084876	144.3
[M+Na]+	237.066818	151.8
[M-H]-	213.070324	149.7
[M+NH4]+	232.111423	163.6
[M+K]+	253.040758	150.1
[M+H-H2O]+	197.074860	137.8
[M+HCOO]-	259.075801	165.1
[M+CH3COO]-	273.091451	192.2
[M+Na-2H]-	235.052266	149.3
[M]+	214.07705142	147.3
[M]-	214.07814858	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe