CID 57612875

4-(methylamino)-1lambda6-thiomorpholine-1,1-dione

Structural Information

Molecular Formula
C5H12N2O2S
SMILES
CNN1CCS(=O)(=O)CC1
InChI
InChI=1S/C5H12N2O2S/c1-6-7-2-4-10(8,9)5-3-7/h6H,2-5H2,1H3
InChIKey
RPARIXQJVGOVEM-UHFFFAOYSA-N
Compound name
N-methyl-1,1-dioxo-1,4-thiazinan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

164.06195 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.069226 129.6
[M+Na]+ 187.051168 136.9
[M-H]- 163.054674 131.7
[M+NH4]+ 182.095773 151.0
[M+K]+ 203.025108 135.6
[M+H-H2O]+ 147.059210 124.3
[M+HCOO]- 209.060151 146.2
[M+CH3COO]- 223.075801 174.8
[M+Na-2H]- 185.036616 134.7
[M]+ 164.06140142 127.9
[M]- 164.06249858 127.9
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