CID 132081673

2361643-60-7

Structural Information

Molecular Formula

C₆H₁₆N₂OS

SMILES

CN(C)CCCS(=N)(=O)C

InChI

InChI=1S/C6H16N2OS/c1-8(2)5-4-6-10(3,7)9/h7H,4-6H2,1-3H3

InChIKey

CZVSGMUNESNWFN-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(methylsulfonimidoyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.09833 Da
Monoisotopic Mass: 1.3
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]+	165.10561	135.0
[M+Na]+	187.08755	141.4
[M-H]-	163.09105	136.8
[M+NH4]+	182.13215	156.2
[M+K]+	203.06149	140.7
[M+H-H2O]+	147.09559	129.4
[M+HCOO]-	209.09653	154.6
[M+CH3COO]-	223.11218	184.7
[M+Na-2H]-	185.07300	138.9
[M]+	164.09778	137.3
[M]-	164.09888	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe