CID 215501

Brn 1254028

Structural Information

Molecular Formula
C16H29NO2S2
SMILES
C1CCCCCC2(CCCCC1)SCC(S2)COC(=O)N
InChI
InChI=1S/C16H29NO2S2/c17-15(18)19-12-14-13-20-16(21-14)10-8-6-4-2-1-3-5-7-9-11-16/h14H,1-13H2,(H2,17,18)
InChIKey
KSNABPFNWOAKTM-UHFFFAOYSA-N
Compound name
1,4-dithiaspiro[4.11]hexadecan-3-ylmethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.16397 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17125 175.5
[M+Na]+ 354.15319 176.4
[M-H]- 330.15669 175.8
[M+NH4]+ 349.19779 190.3
[M+K]+ 370.12713 173.9
[M+H-H2O]+ 314.16123 173.4
[M+HCOO]- 376.16217 179.9
[M+CH3COO]- 390.17782 197.9
[M+Na-2H]- 352.13864 171.1
[M]+ 331.16342 165.9
[M]- 331.16452 165.9
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.