CID 529049

1,2,4-trithiolane, 3,5-bis(1-methylethyl)-

Structural Information

Molecular Formula
C8H16S3
SMILES
CC(C)C1SC(SS1)C(C)C
InChI
InChI=1S/C8H16S3/c1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3
InChIKey
QCTAPVCDZUSECS-UHFFFAOYSA-N
Compound name
3,5-di(propan-2-yl)-1,2,4-trithiolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

208.04141 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04869 143.1
[M+Na]+ 231.03063 149.7
[M-H]- 207.03413 145.7
[M+NH4]+ 226.07523 164.2
[M+K]+ 247.00457 145.9
[M+H-H2O]+ 191.03867 138.3
[M+HCOO]- 253.03961 146.4
[M+CH3COO]- 267.05526 186.8
[M+Na-2H]- 229.01608 138.2
[M]+ 208.04086 142.7
[M]- 208.04196 142.7
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

patents stripe