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

15
Patents

169.03099 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.038266 131.3
[M+Na]+ 192.020208 140.8
[M-H]- 168.023714 131.8
[M+NH4]+ 187.064813 151.7
[M+K]+ 207.994148 137.0
[M+H-H2O]+ 152.028250 125.6
[M+HCOO]- 214.029191 146.3
[M+CH3COO]- 228.044841 144.0
[M+Na-2H]- 190.005656 134.3
[M]+ 169.03044142 128.5
[M]- 169.03153858 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