CID 189081

2-amino-5,6-dihydro-4h-1,3-thiazine hydrobromide

Structural Information

Molecular Formula
C4H8N2S
SMILES
C1CN=C(SC1)N
InChI
InChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1-3H2,(H2,5,6)
InChIKey
PQXQEOIFIUJLIE-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

171
Patents

116.04082 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.048096 119.3
[M+Na]+ 139.030038 126.2
[M-H]- 115.033544 121.0
[M+NH4]+ 134.074643 140.4
[M+K]+ 155.003978 124.5
[M+H-H2O]+ 99.038080 113.3
[M+HCOO]- 161.039021 136.4
[M+CH3COO]- 175.054671 167.5
[M+Na-2H]- 137.015486 124.0
[M]+ 116.04027142 115.4
[M]- 116.04136858 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

literature stripe

Patent stripe

patents stripe