CID 165671872

2803862-04-4

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

C1CS(=N)(=O)CCC1CN

InChI

InChI=1S/C6H14N2OS/c7-5-6-1-3-10(8,9)4-2-6/h6,8H,1-5,7H2

InChIKey

RQUGTSXWDYXMNF-UHFFFAOYSA-N

Compound name

(1-imino-1-oxothian-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.08269 Da
Monoisotopic Mass: 0.7
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]+	163.08997	132.0
[M+Na]+	185.07191	140.2
[M+NH4]+	180.11651	141.8
[M+K]+	201.04585	131.4
[M-H]-	161.07541	134.2
[M+Na-2H]-	183.05736	137.7
[M]+	162.08214	134.0
[M]-	162.08324	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.