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]+ 221.09545 145.0
[M+Na]+ 243.07739 151.6
[M-H]- 219.08089 150.1
[M+NH4]+ 238.12199 164.3
[M+K]+ 259.05133 150.6
[M+H-H2O]+ 203.08543 139.4
[M+HCOO]- 265.08637 159.1
[M+CH3COO]- 279.10202 183.0
[M+Na-2H]- 241.06284 146.3
[M]+ 220.08762 141.5
[M]- 220.08872 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.