CID 100712

39133-34-1

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)N

InChI

InChI=1S/C10H13N3O2S/c1-9-3-5-10(6-4-9)16(14,15)13(12)8-2-7-11/h3-6H,2,8,12H2,1H3

InChIKey

AJZJKEBCISMLIG-UHFFFAOYSA-N

Compound name

N-(2-cyanoethyl)-4-methylbenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 239.07285 Da
Monoisotopic Mass: 0.4
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]+	240.080126	160.8
[M+Na]+	262.062068	169.6
[M-H]-	238.065574	165.2
[M+NH4]+	257.106673	176.8
[M+K]+	278.036008	167.5
[M+H-H2O]+	222.070110	147.6
[M+HCOO]-	284.071051	176.9
[M+CH3COO]-	298.086701	206.6
[M+Na-2H]-	260.047516	163.3
[M]+	239.07230142	157.6
[M]-	239.07339858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe