CID 136576300

2225136-09-2

Structural Information

Molecular Formula
C13H24N2O4S
SMILES
CC(C)(C)OC(=O)NC1CNCC12CCS(=O)(=O)CC2
InChI
InChI=1S/C13H24N2O4S/c1-12(2,3)19-11(16)15-10-8-14-9-13(10)4-6-20(17,18)7-5-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKey
KLIJNPDDNAMPCL-UHFFFAOYSA-N
Compound name
tert-butyl N-(8,8-dioxo-8lambda6-thia-2-azaspiro[4.5]decan-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1457 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15298 168.3
[M+Na]+ 327.13492 172.9
[M+NH4]+ 322.17952 176.4
[M+K]+ 343.10886 166.6
[M-H]- 303.13842 166.9
[M+Na-2H]- 325.12037 172.2
[M]+ 304.14515 168.8
[M]- 304.14625 168.8
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

No patent data available for this compound.