CID 63165995

2402828-93-5

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

C1CS(=O)(=O)CC1(CO)N

InChI

InChI=1S/C5H11NO3S/c6-5(3-7)1-2-10(8,9)4-5/h7H,1-4,6H2

InChIKey

KAQLSJPXDFIUMA-UHFFFAOYSA-N

Compound name

(3-amino-1,1-dioxothiolan-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.04596 Da
Monoisotopic Mass: -2.0
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]+	166.053236	128.9
[M+Na]+	188.035178	137.6
[M-H]-	164.038684	131.0
[M+NH4]+	183.079783	154.3
[M+K]+	204.009118	135.5
[M+H-H2O]+	148.043220	126.2
[M+HCOO]-	210.044161	146.9
[M+CH3COO]-	224.059811	170.5
[M+Na-2H]-	186.020626	133.3
[M]+	165.04541142	128.0
[M]-	165.04650858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.