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]+ 284.142716 168.0
[M+Na]+ 306.124658 174.6
[M-H]- 282.128164 169.0
[M+NH4]+ 301.169263 184.6
[M+K]+ 322.098598 171.8
[M+H-H2O]+ 266.132700 161.5
[M+HCOO]- 328.133641 179.7
[M+CH3COO]- 342.149291 199.5
[M+Na-2H]- 304.110106 168.0
[M]+ 283.13489142 169.4
[M]- 283.13598858 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.