CID 83670010

1784033-49-3

Structural Information

Molecular Formula
C13H22N2O2S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCN=C=S
InChI
InChI=1S/C13H22N2O2S/c1-13(2,3)17-12(16)15-8-5-11(6-9-15)4-7-14-10-18/h11H,4-9H2,1-3H3
InChIKey
VRUCNWGZHREGGV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-isothiocyanatoethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1402 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14748 166.1
[M+Na]+ 293.12942 173.8
[M+NH4]+ 288.17402 172.5
[M+K]+ 309.10336 166.7
[M-H]- 269.13292 166.2
[M+Na-2H]- 291.11487 168.3
[M]+ 270.13965 167.4
[M]- 270.14075 167.4
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.