CID 24229290

690261-84-8

Structural Information

Molecular Formula
C13H21N3O2S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CSC(=N2)N
InChI
InChI=1S/C13H21N3O2S/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)10-8-19-11(14)15-10/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKey
SUVKCAMIECRTNV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

283.13544 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14272 167.7
[M+Na]+ 306.12466 173.4
[M-H]- 282.12816 171.1
[M+NH4]+ 301.16926 183.0
[M+K]+ 322.09860 170.7
[M+H-H2O]+ 266.13270 160.4
[M+HCOO]- 328.13364 179.8
[M+CH3COO]- 342.14929 198.1
[M+Na-2H]- 304.11011 166.0
[M]+ 283.13489 166.4
[M]- 283.13599 166.4
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

patents stripe