CID 62570

1-undecanethiol

Structural Information

Molecular Formula
C11H24S
SMILES
CCCCCCCCCCCS
InChI
InChI=1S/C11H24S/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChIKey
CCIDWXHLGNEQSL-UHFFFAOYSA-N
Compound name
undecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

4110
Patents

188.15987 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.16715 146.1
[M+Na]+ 211.14909 151.4
[M-H]- 187.15259 145.8
[M+NH4]+ 206.19369 166.8
[M+K]+ 227.12303 149.0
[M+H-H2O]+ 171.15713 140.6
[M+HCOO]- 233.15807 162.8
[M+CH3COO]- 247.17372 186.5
[M+Na-2H]- 209.13454 147.0
[M]+ 188.15932 151.4
[M]- 188.16042 151.4
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

patents stripe