CID 372749

Nsc648367

Structural Information

Molecular Formula
C24H36O2S
SMILES
C1C2CC3CC1CC(C2)(C3)C4(CSCC4(C56CC7CC(C5)CC(C7)C6)O)O
InChI
InChI=1S/C24H36O2S/c25-23(21-7-15-1-16(8-21)3-17(2-15)9-21)13-27-14-24(23,26)22-10-18-4-19(11-22)6-20(5-18)12-22/h15-20,25-26H,1-14H2
InChIKey
RMQKGNULRWIFRE-UHFFFAOYSA-N
Compound name
3,4-bis(1-adamantyl)thiolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.2436 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25088 173.6
[M+Na]+ 411.23282 167.6
[M-H]- 387.23632 162.0
[M+NH4]+ 406.27742 197.1
[M+K]+ 427.20676 160.7
[M+H-H2O]+ 371.24086 158.2
[M+HCOO]- 433.24180 155.5
[M+CH3COO]- 447.25745 173.0
[M+Na-2H]- 409.21827 179.8
[M]+ 388.24305 170.4
[M]- 388.24415 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.