CID 3131598

483351-50-4

Structural Information

Molecular Formula

C₇H₁₅NO₃S

SMILES

COCCNC1CCS(=O)(=O)C1

InChI

InChI=1S/C7H15NO3S/c1-11-4-3-8-7-2-5-12(9,10)6-7/h7-8H,2-6H2,1H3

InChIKey

JCUMFZWFXHIBPH-UHFFFAOYSA-N

Compound name

N-(2-methoxyethyl)-1,1-dioxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 193.07727 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]+	194.084546	138.3
[M+Na]+	216.066488	145.7
[M-H]-	192.069994	141.8
[M+NH4]+	211.111093	161.7
[M+K]+	232.040428	144.3
[M+H-H2O]+	176.074530	133.8
[M+HCOO]-	238.075471	157.9
[M+CH3COO]-	252.091121	179.9
[M+Na-2H]-	214.051936	141.4
[M]+	193.07672142	140.5
[M]-	193.07781858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe