CID 45489911

365996-10-7

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)C=O
InChI
InChI=1S/C12H16N2O3S/c1-12(2,3)17-11(16)14-5-4-8-9(6-14)18-10(7-15)13-8/h7H,4-6H2,1-3H3
InChIKey
LFDDAPVYLFAUEY-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

268.08817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09545 162.2
[M+Na]+ 291.07739 171.3
[M+NH4]+ 286.12199 168.8
[M+K]+ 307.05133 166.9
[M-H]- 267.08089 161.1
[M+Na-2H]- 289.06284 163.8
[M]+ 268.08762 163.4
[M]- 268.08872 163.4
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