CID 16795413

17899-51-3

Structural Information

Molecular Formula
C9H15N3S
SMILES
CC(C)N1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C9H15N3S/c1-6(2)12-4-3-7-8(5-12)13-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKey
BXIPZMYZBYKUBQ-UHFFFAOYSA-N
Compound name
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

197.09866 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 142.4
[M+Na]+ 220.087878 150.5
[M-H]- 196.091384 143.9
[M+NH4]+ 215.132483 162.5
[M+K]+ 236.061818 147.6
[M+H-H2O]+ 180.095920 136.0
[M+HCOO]- 242.096861 156.4
[M+CH3COO]- 256.112511 154.5
[M+Na-2H]- 218.073326 143.1
[M]+ 197.09811142 141.1
[M]- 197.09920858 141.1
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