CID 23130908

Tert-butyl 4-(carbamothioylamino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H21N3O2S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC(=S)N
InChI
InChI=1S/C11H21N3O2S/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)13-9(12)17/h8H,4-7H2,1-3H3,(H3,12,13,17)
InChIKey
KXHNTGAMNKYTRF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(carbamothioylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

259.13544 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14272 161.4
[M+Na]+ 282.12466 164.6
[M-H]- 258.12816 162.0
[M+NH4]+ 277.16926 176.4
[M+K]+ 298.09860 162.5
[M+H-H2O]+ 242.13270 154.6
[M+HCOO]- 304.13364 172.9
[M+CH3COO]- 318.14929 197.1
[M+Na-2H]- 280.11011 160.5
[M]+ 259.13489 157.7
[M]- 259.13599 157.7
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