CID 63581470

2-[(2-methoxyphenyl)sulfanyl]acetohydrazide

Structural Information

Molecular Formula

C₉H₁₂N₂O₂S

SMILES

COC1=CC=CC=C1SCC(=O)NN

InChI

InChI=1S/C9H12N2O2S/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)

InChIKey

SQBJZXMIULOBEK-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenyl)sulfanylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 212.06195 Da
Monoisotopic Mass: 1.0
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]+	213.069226	144.2
[M+Na]+	235.051168	150.8
[M-H]-	211.054674	147.4
[M+NH4]+	230.095773	162.6
[M+K]+	251.025108	148.0
[M+H-H2O]+	195.059210	137.5
[M+HCOO]-	257.060151	164.3
[M+CH3COO]-	271.075801	188.8
[M+Na-2H]-	233.036616	147.1
[M]+	212.06140142	145.4
[M]-	212.06249858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe