CID 90575

4h-1,3-thiazin-4-one, 2-amino-5,6-dihydro-, monohydrochloride

Structural Information

Molecular Formula
C4H6N2OS
SMILES
C1CSC(=NC1=O)N
InChI
InChI=1S/C4H6N2OS/c5-4-6-3(7)1-2-8-4/h1-2H2,(H2,5,6,7)
InChIKey
YSHYSAKBZQCSQY-UHFFFAOYSA-N
Compound name
2-amino-5,6-dihydro-1,3-thiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

130.02008 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 121.8
[M+Na]+ 153.009298 129.8
[M-H]- 129.012804 123.9
[M+NH4]+ 148.053903 142.5
[M+K]+ 168.983238 127.9
[M+H-H2O]+ 113.017340 116.0
[M+HCOO]- 175.018281 139.3
[M+CH3COO]- 189.033931 169.7
[M+Na-2H]- 150.994746 125.9
[M]+ 130.01953142 119.1
[M]- 130.02062858 119.1
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