CID 15481056

Undec-10-ene-1-thiol

Structural Information

Molecular Formula
C11H22S
SMILES
C=CCCCCCCCCCS
InChI
InChI=1S/C11H22S/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2
InChIKey
SCHSUGYJBLKWQZ-UHFFFAOYSA-N
Compound name
undec-10-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

125
Patents

186.14423 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.15151 144.8
[M+Na]+ 209.13345 150.4
[M-H]- 185.13695 144.5
[M+NH4]+ 204.17805 165.5
[M+K]+ 225.10739 147.4
[M+H-H2O]+ 169.14149 139.4
[M+HCOO]- 231.14243 161.8
[M+CH3COO]- 245.15808 185.5
[M+Na-2H]- 207.11890 145.8
[M]+ 186.14368 149.4
[M]- 186.14478 149.4
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