CID 11390900

Tert-butyl 2-carbamothioylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H20N2O2S
SMILES
CC(C)(C)OC(=O)N1CCCCC1C(=S)N
InChI
InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-7-5-4-6-8(13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
InChIKey
OLZRMIGDZLTJLM-UHFFFAOYSA-N
Compound name
tert-butyl 2-carbamothioylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

244.12454 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13182 157.7
[M+Na]+ 267.11376 164.5
[M+NH4]+ 262.15836 164.0
[M+K]+ 283.08770 159.4
[M-H]- 243.11726 157.2
[M+Na-2H]- 265.09921 159.1
[M]+ 244.12399 158.6
[M]- 244.12509 158.6
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