CID 145913565

2377031-20-2

Structural Information

Molecular Formula
C13H25NO2S
SMILES
CCSCC1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO2S/c1-5-17-10-11-6-8-14(9-7-11)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKey
PFVYCZUQMSJKLL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(ethylsulfanylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.1606 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16788 163.4
[M+Na]+ 282.14982 167.5
[M-H]- 258.15332 164.5
[M+NH4]+ 277.19442 179.7
[M+K]+ 298.12376 165.7
[M+H-H2O]+ 242.15786 156.9
[M+HCOO]- 304.15880 173.9
[M+CH3COO]- 318.17445 194.3
[M+Na-2H]- 280.13527 162.5
[M]+ 259.16005 164.5
[M]- 259.16115 164.5
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

patents stripe