CID 146049363

2411230-41-4

Structural Information

Molecular Formula
C13H20ClN3O2S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(S2)CCl
InChI
InChI=1S/C13H20ClN3O2S/c1-13(2,3)19-12(18)17-6-4-9(5-7-17)11-16-15-10(8-14)20-11/h9H,4-8H2,1-3H3
InChIKey
HTLJEKVGWLJXOR-UHFFFAOYSA-N
Compound name
tert-butyl 4-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10375 174.0
[M+Na]+ 340.08569 181.2
[M-H]- 316.08919 176.6
[M+NH4]+ 335.13029 188.0
[M+K]+ 356.05963 177.3
[M+H-H2O]+ 300.09373 166.5
[M+HCOO]- 362.09467 179.8
[M+CH3COO]- 376.11032 200.2
[M+Na-2H]- 338.07114 171.9
[M]+ 317.09592 176.5
[M]- 317.09702 176.5
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.