CID 261824

11-mercaptoundecanol

Structural Information

Molecular Formula
C11H24OS
SMILES
C(CCCCCO)CCCCCS
InChI
InChI=1S/C11H24OS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
InChIKey
ULGGZAVAARQJCS-UHFFFAOYSA-N
Compound name
11-sulfanylundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

98
References

2571
Patents

204.15479 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16207 150.1
[M+Na]+ 227.14401 154.8
[M-H]- 203.14751 148.2
[M+NH4]+ 222.18861 169.3
[M+K]+ 243.11795 151.8
[M+H-H2O]+ 187.15205 144.6
[M+HCOO]- 249.15299 165.6
[M+CH3COO]- 263.16864 185.5
[M+Na-2H]- 225.12946 150.6
[M]+ 204.15424 154.9
[M]- 204.15534 154.9
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

patents stripe