CID 85321

16182-15-3

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C9H14N2O2S/c1-6-4-7(2)9(8(3)5-6)14(12,13)11-10/h4-5,11H,10H2,1-3H3

InChIKey

JQUBKTQDNVZHIY-UHFFFAOYSA-N

Compound name

2,4,6-trimethylbenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 255
Patents: 214.0776 Da
Monoisotopic Mass: 1.2
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]+	215.08488	146.7
[M+Na]+	237.06682	157.0
[M+NH4]+	232.11142	154.0
[M+K]+	253.04076	150.5
[M-H]-	213.07032	148.5
[M+Na-2H]-	235.05227	151.5
[M]+	214.07705	149.0
[M]-	214.07815	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe