CID 474219

2,11-bis(sulfanyl)undecan-1-ol

Structural Information

Molecular Formula
C11H24OS2
SMILES
C(CCCCC(CO)S)CCCCS
InChI
InChI=1S/C11H24OS2/c12-10-11(14)8-6-4-2-1-3-5-7-9-13/h11-14H,1-10H2
InChIKey
BUBSDHUORWWPLY-UHFFFAOYSA-N
Compound name
2,11-bis(sulfanyl)undecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.12686 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13414 154.8
[M+Na]+ 259.11608 162.5
[M+NH4]+ 254.16068 162.8
[M+K]+ 275.09002 152.5
[M-H]- 235.11958 154.4
[M+Na-2H]- 257.10153 155.4
[M]+ 236.12631 156.6
[M]- 236.12741 156.6
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