CID 468657

Chembl3091659

Structural Information

Molecular Formula

C₉H₁₁N₃OS

SMILES

CC(C)(C#N)NNC(=O)C1=CC=CS1

InChI

InChI=1S/C9H11N3OS/c1-9(2,6-10)12-11-8(13)7-4-3-5-14-7/h3-5,12H,1-2H3,(H,11,13)

InChIKey

BCNSZTQWGLZSOJ-UHFFFAOYSA-N

Compound name

N'-(2-cyanopropan-2-yl)thiophene-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 209.06229 Da
Monoisotopic Mass: 1.4
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]+	210.06957	156.5
[M+Na]+	232.05151	164.7
[M-H]-	208.05501	160.1
[M+NH4]+	227.09611	174.7
[M+K]+	248.02545	162.5
[M+H-H2O]+	192.05955	143.6
[M+HCOO]-	254.06049	172.4
[M+CH3COO]-	268.07614	199.4
[M+Na-2H]-	230.03696	158.6
[M]+	209.06174	151.9
[M]-	209.06284	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.