CID 418808

2h-thiopyran-4-amine, tetrahydro-, 1,1-dioxide

Structural Information

Molecular Formula
C5H11NO2S
SMILES
C1CS(=O)(=O)CCC1N
InChI
InChI=1S/C5H11NO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4,6H2
InChIKey
KZKYCKOUODFYBV-UHFFFAOYSA-N
Compound name
1,1-dioxothian-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

951
Patents

149.05106 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05834 126.2
[M+Na]+ 172.04028 133.5
[M-H]- 148.04378 129.3
[M+NH4]+ 167.08488 149.3
[M+K]+ 188.01422 131.8
[M+H-H2O]+ 132.04832 121.9
[M+HCOO]- 194.04926 143.4
[M+CH3COO]- 208.06491 171.4
[M+Na-2H]- 170.02573 130.3
[M]+ 149.05051 123.0
[M]- 149.05161 123.0
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