CID 55289628

1864058-54-7

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

C1CC(S(=O)(=O)C1)CN

InChI

InChI=1S/C5H11NO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-4,6H2

InChIKey

KEVGTNCSNMGZGG-UHFFFAOYSA-N

Compound name

(1,1-dioxothiolan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 149.05106 Da
Monoisotopic Mass: -0.2
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	129.7
[M+Na]+	172.04028	137.8
[M+NH4]+	167.08488	139.3
[M+K]+	188.01422	131.2
[M-H]-	148.04378	130.5
[M+Na-2H]-	170.02573	134.2
[M]+	149.05051	131.3
[M]-	149.05161	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe