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]+ 216.04375 140.7
[M+Na]+ 238.02569 149.0
[M-H]- 214.02919 141.9
[M+NH4]+ 233.07029 158.8
[M+K]+ 253.99963 142.2
[M+H-H2O]+ 198.03373 139.4
[M+HCOO]- 260.03467 155.8
[M+CH3COO]- 274.05032 176.7
[M+Na-2H]- 236.01114 145.3
[M]+ 215.03592 138.9
[M]- 215.03702 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.