CID 11535967

Ethyl 4-(carbamothioylamino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C9H17N3O2S
SMILES
CCOC(=O)N1CCC(CC1)NC(=S)N
InChI
InChI=1S/C9H17N3O2S/c1-2-14-9(13)12-5-3-7(4-6-12)11-8(10)15/h7H,2-6H2,1H3,(H3,10,11,15)
InChIKey
BPCZINMJOTUUOC-UHFFFAOYSA-N
Compound name
ethyl 4-(carbamothioylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

231.10414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.111416 152.3
[M+Na]+ 254.093358 155.9
[M-H]- 230.096864 153.0
[M+NH4]+ 249.137963 168.3
[M+K]+ 270.067298 153.7
[M+H-H2O]+ 214.101400 145.1
[M+HCOO]- 276.102341 165.9
[M+CH3COO]- 290.117991 191.4
[M+Na-2H]- 252.078806 151.4
[M]+ 231.10359142 148.4
[M]- 231.10468858 148.4
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

patents stripe