CID 11357283

Tert-butyl 2-amino-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3,(H2,12,13)
InChIKey
BMLHPGOMLGKYIJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-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

339
Patents

255.10414 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11142 159.2
[M+Na]+ 278.09336 166.8
[M-H]- 254.09686 160.7
[M+NH4]+ 273.13796 177.0
[M+K]+ 294.06730 164.4
[M+H-H2O]+ 238.10140 153.1
[M+HCOO]- 300.10234 171.7
[M+CH3COO]- 314.11799 193.5
[M+Na-2H]- 276.07881 160.2
[M]+ 255.10359 160.0
[M]- 255.10469 160.0
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