CID 137698852

2137984-12-2

Structural Information

Molecular Formula
C13H21N3O2S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)CCN
InChI
InChI=1S/C13H21N3O2S/c1-13(2,3)18-12(17)16-7-5-9-10(8-16)19-11(15-9)4-6-14/h4-8,14H2,1-3H3
InChIKey
WXCWQKWMPNDRRU-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-aminoethyl)-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

283.13544 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14272 168.0
[M+Na]+ 306.12466 174.6
[M-H]- 282.12816 169.0
[M+NH4]+ 301.16926 184.6
[M+K]+ 322.09860 171.8
[M+H-H2O]+ 266.13270 161.5
[M+HCOO]- 328.13364 179.7
[M+CH3COO]- 342.14929 199.5
[M+Na-2H]- 304.11011 168.0
[M]+ 283.13489 169.4
[M]- 283.13599 169.4
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

No patent data available for this compound.