CID 70700682

2219374-08-8

Structural Information

Molecular Formula
C6H7N3OS
SMILES
C1CNC(=O)C2=C1N=C(S2)N
InChI
InChI=1S/C6H7N3OS/c7-6-9-3-1-2-8-5(10)4(3)11-6/h1-2H2,(H2,7,9)(H,8,10)
InChIKey
RCZQMGROGKEVLO-UHFFFAOYSA-N
Compound name
2-amino-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

169.03099 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03827 131.3
[M+Na]+ 192.02021 140.8
[M-H]- 168.02371 131.8
[M+NH4]+ 187.06481 151.7
[M+K]+ 207.99415 137.0
[M+H-H2O]+ 152.02825 125.6
[M+HCOO]- 214.02919 146.3
[M+CH3COO]- 228.04484 144.0
[M+Na-2H]- 190.00566 134.3
[M]+ 169.03044 128.5
[M]- 169.03154 128.5
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