CID 24690088

1170006-49-1

Structural Information

Molecular Formula
C7H14N2O3S
SMILES
CNCC(=O)NC1CCS(=O)(=O)C1
InChI
InChI=1S/C7H14N2O3S/c1-8-4-7(10)9-6-2-3-13(11,12)5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKey
SZJSMBPLUWLLPN-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07251 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07979 141.3
[M+Na]+ 229.06173 147.7
[M-H]- 205.06523 144.7
[M+NH4]+ 224.10633 163.6
[M+K]+ 245.03567 146.1
[M+H-H2O]+ 189.06977 136.4
[M+HCOO]- 251.07071 160.8
[M+CH3COO]- 265.08636 184.3
[M+Na-2H]- 227.04718 143.9
[M]+ 206.07196 141.2
[M]- 206.07306 141.2
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

No patent data available for this compound.