CID 28569

7-methyl-1,4-dithiaspiro(4.4)nonane

Structural Information

Molecular Formula
C8H14S2
SMILES
CC1CCC2(C1)SCCS2
InChI
InChI=1S/C8H14S2/c1-7-2-3-8(6-7)9-4-5-10-8/h7H,2-6H2,1H3
InChIKey
CSTSWMJZGAQCGE-UHFFFAOYSA-N
Compound name
8-methyl-1,4-dithiaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06098 138.0
[M+Na]+ 197.04292 146.0
[M-H]- 173.04642 143.5
[M+NH4]+ 192.08752 164.9
[M+K]+ 213.01686 143.8
[M+H-H2O]+ 157.05096 134.6
[M+HCOO]- 219.05190 149.7
[M+CH3COO]- 233.06755 151.3
[M+Na-2H]- 195.02837 136.9
[M]+ 174.05315 136.2
[M]- 174.05425 136.2
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.