CID 91827763

N-boc-4-methylpiperidinecarbothioamide

Structural Information

Molecular Formula
C12H22N2O2S
SMILES
CC1CCN(CC1)C(=S)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O2S/c1-9-5-7-14(8-6-9)10(17)13-11(15)16-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,15,17)
InChIKey
JYPUPEXSYQLDSV-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methylpiperidine-1-carbothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1402 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14748 162.0
[M+Na]+ 281.12942 165.8
[M-H]- 257.13292 163.3
[M+NH4]+ 276.17402 177.9
[M+K]+ 297.10336 163.9
[M+H-H2O]+ 241.13746 155.5
[M+HCOO]- 303.13840 172.9
[M+CH3COO]- 317.15405 194.9
[M+Na-2H]- 279.11487 161.1
[M]+ 258.13965 160.4
[M]- 258.14075 160.4
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.