CID 85638981

14109-98-9

Structural Information

Molecular Formula

C₇H₁₀N₂OS

SMILES

C1CCC2(C1)C(=O)NC(=S)N2

InChI

InChI=1S/C7H10N2OS/c10-5-7(3-1-2-4-7)9-6(11)8-5/h1-4H2,(H2,8,9,10,11)

InChIKey

HLNIWBNQRJUEFK-UHFFFAOYSA-N

Compound name

2-sulfanylidene-1,3-diazaspiro[4.4]nonan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.05139 Da
Monoisotopic Mass: 0.6
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]+	171.05867	137.4
[M+Na]+	193.04061	145.7
[M-H]-	169.04411	138.0
[M+NH4]+	188.08521	160.2
[M+K]+	209.01455	142.0
[M+H-H2O]+	153.04865	132.6
[M+HCOO]-	215.04959	149.9
[M+CH3COO]-	229.06524	149.4
[M+Na-2H]-	191.02606	137.0
[M]+	170.05084	131.5
[M]-	170.05194	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe