CID 18801608

1235439-96-9

Structural Information

Molecular Formula
C8H16N2O3S
SMILES
C1COCCN1C2CS(=O)(=O)CC2N
InChI
InChI=1S/C8H16N2O3S/c9-7-5-14(11,12)6-8(7)10-1-3-13-4-2-10/h7-8H,1-6,9H2
InChIKey
IAMRIJVUVDRDCC-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08817 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.095446 145.0
[M+Na]+ 243.077388 151.6
[M-H]- 219.080894 150.1
[M+NH4]+ 238.121993 164.3
[M+K]+ 259.051328 150.6
[M+H-H2O]+ 203.085430 139.4
[M+HCOO]- 265.086371 159.1
[M+CH3COO]- 279.102021 183.0
[M+Na-2H]- 241.062836 146.3
[M]+ 220.08762142 141.5
[M]- 220.08871858 141.5
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.