CID 20121318

1172392-16-3

Structural Information

Molecular Formula
C7H14N2O3S
SMILES
C1CS(=O)(=O)CC1NC(=O)CCN
InChI
InChI=1S/C7H14N2O3S/c8-3-1-7(10)9-6-2-4-13(11,12)5-6/h6H,1-5,8H2,(H,9,10)
InChIKey
MUISNVNUYNBDOK-UHFFFAOYSA-N
Compound name
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide
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]+ 207.079786 141.6
[M+Na]+ 229.061728 148.1
[M-H]- 205.065234 144.5
[M+NH4]+ 224.106333 163.6
[M+K]+ 245.035668 146.1
[M+H-H2O]+ 189.069770 136.8
[M+HCOO]- 251.070711 160.5
[M+CH3COO]- 265.086361 183.7
[M+Na-2H]- 227.047176 143.2
[M]+ 206.07196142 140.5
[M]- 206.07305858 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

No patent data available for this compound.