CID 495486

Nsc656595

Structural Information

Molecular Formula
C11H18O2S2
SMILES
CC1(OCC(O1)C2CC23SCCCS3)C
InChI
InChI=1S/C11H18O2S2/c1-10(2)12-7-9(13-10)8-6-11(8)14-4-3-5-15-11/h8-9H,3-7H2,1-2H3
InChIKey
GNRXWUHNGSCKQW-UHFFFAOYSA-N
Compound name
4-(4,8-dithiaspiro[2.5]octan-2-yl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07483 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08211 142.3
[M+Na]+ 269.06405 150.2
[M-H]- 245.06755 151.8
[M+NH4]+ 264.10865 158.8
[M+K]+ 285.03799 151.8
[M+H-H2O]+ 229.07209 138.9
[M+HCOO]- 291.07303 149.7
[M+CH3COO]- 305.08868 154.5
[M+Na-2H]- 267.04950 145.8
[M]+ 246.07428 145.0
[M]- 246.07538 145.0
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.