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

5
Patents

193.07727 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 138.3
[M+Na]+ 216.06649 145.7
[M-H]- 192.06999 141.8
[M+NH4]+ 211.11109 161.7
[M+K]+ 232.04043 144.3
[M+H-H2O]+ 176.07453 133.8
[M+HCOO]- 238.07547 157.9
[M+CH3COO]- 252.09112 179.9
[M+Na-2H]- 214.05194 141.4
[M]+ 193.07672 140.5
[M]- 193.07782 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe