CID 4961736

777880-70-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂OS

SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NN

InChI

InChI=1S/C10H14N2OS/c1-6-2-3-8-7(4-6)5-9(14-8)10(13)12-11/h5-6H,2-4,11H2,1H3,(H,12,13)

InChIKey

OXNMMXRMVHHCBQ-UHFFFAOYSA-N

Compound name

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 210.08269 Da
Monoisotopic Mass: 1.9
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]+	211.08997	144.6
[M+Na]+	233.07191	152.8
[M+NH4]+	228.11651	153.6
[M+K]+	249.04585	147.4
[M-H]-	209.07541	147.3
[M+Na-2H]-	231.05736	147.8
[M]+	210.08214	146.6
[M]-	210.08324	146.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.