CID 129962847

1211590-88-3

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)CN
InChI
InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-5-4-8-9(7-15)18-10(6-13)14-8/h4-7,13H2,1-3H3
InChIKey
MFZCRQSLRMVAGC-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-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

0
Patents

269.1198 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12708 163.6
[M+Na]+ 292.10902 170.7
[M-H]- 268.11252 164.9
[M+NH4]+ 287.15362 180.8
[M+K]+ 308.08296 168.1
[M+H-H2O]+ 252.11706 157.3
[M+HCOO]- 314.11800 175.7
[M+CH3COO]- 328.13365 196.5
[M+Na-2H]- 290.09447 164.1
[M]+ 269.11925 164.7
[M]- 269.12035 164.7
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

No patent data available for this compound.