CID 3038033

13157-23-8

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

C1CCC2(C1)CNC(=S)N2

InChI

InChI=1S/C7H12N2S/c10-6-8-5-7(9-6)3-1-2-4-7/h1-5H2,(H2,8,9,10)

InChIKey

XKCULAZNVTWJLC-UHFFFAOYSA-N

Compound name

1,3-diazaspiro[4.4]nonane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.07211 Da
Monoisotopic Mass: 0.8
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]+	157.07939	135.0
[M+Na]+	179.06133	142.7
[M+NH4]+	174.10593	145.0
[M+K]+	195.03527	137.0
[M-H]-	155.06483	135.2
[M+Na-2H]-	177.04678	138.7
[M]+	156.07156	136.3
[M]-	156.07266	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.