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

12
Patents

231.10414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11142 152.3
[M+Na]+ 254.09336 155.9
[M-H]- 230.09686 153.0
[M+NH4]+ 249.13796 168.3
[M+K]+ 270.06730 153.7
[M+H-H2O]+ 214.10140 145.1
[M+HCOO]- 276.10234 165.9
[M+CH3COO]- 290.11799 191.4
[M+Na-2H]- 252.07881 151.4
[M]+ 231.10359 148.4
[M]- 231.10469 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