CID 537335

115906-56-4

Structural Information

Molecular Formula
C7H9N3O3S
SMILES
CC1=NC(=C2N1CC(CS2)O)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O3S/c1-4-8-6(10(12)13)7-9(4)2-5(11)3-14-7/h5,11H,2-3H2,1H3
InChIKey
DFJODVNWQIWHEB-UHFFFAOYSA-N
Compound name
6-methyl-8-nitro-3,4-dihydro-2H-imidazo[5,1-b][1,3]thiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03647 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.043746 140.7
[M+Na]+ 238.025688 149.0
[M-H]- 214.029194 141.9
[M+NH4]+ 233.070293 158.8
[M+K]+ 253.999628 142.2
[M+H-H2O]+ 198.033730 139.4
[M+HCOO]- 260.034671 155.8
[M+CH3COO]- 274.050321 176.7
[M+Na-2H]- 236.011136 145.3
[M]+ 215.03592142 138.9
[M]- 215.03701858 138.9
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

No patent data available for this compound.