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

53
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 157.6
[M+Na]+ 267.11376 161.7
[M-H]- 243.11726 158.4
[M+NH4]+ 262.15836 173.6
[M+K]+ 283.08770 159.7
[M+H-H2O]+ 227.12180 151.3
[M+HCOO]- 289.12274 168.2
[M+CH3COO]- 303.13839 192.6
[M+Na-2H]- 265.09921 156.1
[M]+ 244.12399 154.8
[M]- 244.12509 154.8
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