CID 119031346

Tert-butyl 3-carbamothioyl-3-acetamidopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21N3O3S
SMILES
CC(=O)NC1(CCN(C1)C(=O)OC(C)(C)C)C(=S)N
InChI
InChI=1S/C12H21N3O3S/c1-8(16)14-12(9(13)19)5-6-15(7-12)10(17)18-11(2,3)4/h5-7H2,1-4H3,(H2,13,19)(H,14,16)
InChIKey
FIUPXWQOEMBFJJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-acetamido-3-carbamothioylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.13037 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13765 167.0
[M+Na]+ 310.11959 171.3
[M-H]- 286.12309 168.2
[M+NH4]+ 305.16419 184.6
[M+K]+ 326.09353 170.1
[M+H-H2O]+ 270.12763 161.9
[M+HCOO]- 332.12857 179.7
[M+CH3COO]- 346.14422 201.3
[M+Na-2H]- 308.10504 165.6
[M]+ 287.12982 166.4
[M]- 287.13092 166.4
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

No patent data available for this compound.