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

44
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 119.3
[M+Na]+ 139.03004 126.2
[M-H]- 115.03354 121.0
[M+NH4]+ 134.07464 140.4
[M+K]+ 155.00398 124.5
[M+H-H2O]+ 99.038080 113.3
[M+HCOO]- 161.03902 136.4
[M+CH3COO]- 175.05467 167.5
[M+Na-2H]- 137.01549 124.0
[M]+ 116.04027 115.4
[M]- 116.04137 115.4
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