CID 84082939

2825007-40-5

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CNCC1CS(=O)(=O)C1

InChI

InChI=1S/C5H11NO2S/c1-6-2-5-3-9(7,8)4-5/h5-6H,2-4H2,1H3

InChIKey

RCCISPPYZJLDMA-UHFFFAOYSA-N

Compound name

1-(1,1-dioxothietan-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 149.05106 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]+	150.05834	127.0
[M+Na]+	172.04028	131.8
[M+NH4]+	167.08488	132.6
[M+K]+	188.01422	125.7
[M-H]-	148.04378	125.3
[M+Na-2H]-	170.02573	130.1
[M]+	149.05051	126.4
[M]-	149.05161	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe