CID 384292

Nsc673909

Structural Information

Molecular Formula
C16H28S2
SMILES
C=C1CCCCCCCCCCC12SCCCS2
InChI
InChI=1S/C16H28S2/c1-15-11-8-6-4-2-3-5-7-9-12-16(15)17-13-10-14-18-16/h1-14H2
InChIKey
JUOUXTGFYVCENQ-UHFFFAOYSA-N
Compound name
7-methylidene-1,5-dithiaspiro[5.11]heptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.16324 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17052 164.0
[M+Na]+ 307.15246 165.1
[M-H]- 283.15596 164.6
[M+NH4]+ 302.19706 179.4
[M+K]+ 323.12640 161.6
[M+H-H2O]+ 267.16050 161.3
[M+HCOO]- 329.16144 166.5
[M+CH3COO]- 343.17709 171.0
[M+Na-2H]- 305.13791 161.2
[M]+ 284.16269 151.4
[M]- 284.16379 151.4
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.