CID 11845417

Thiomorpholin-3-imine hydrochloride

Structural Information

Molecular Formula
C4H8N2S
SMILES
C1CSCC(=N1)N
InChI
InChI=1S/C4H8N2S/c5-4-3-7-2-1-6-4/h1-3H2,(H2,5,6)
InChIKey
KLCGUDSBFDKXCQ-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-1,4-thiazin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

116.04082 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 119.4
[M+Na]+ 139.03004 130.1
[M+NH4]+ 134.07464 129.2
[M+K]+ 155.00398 122.5
[M-H]- 115.03354 122.1
[M+Na-2H]- 137.01549 125.5
[M]+ 116.04027 122.0
[M]- 116.04137 122.0
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