CID 256808

2-pentylsulfanylethanol

Structural Information

Molecular Formula
C7H16OS
SMILES
CCCCCSCCO
InChI
InChI=1S/C7H16OS/c1-2-3-4-6-9-7-5-8/h8H,2-7H2,1H3
InChIKey
GMCYCIFSAJJFSY-UHFFFAOYSA-N
Compound name
2-pentylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

148.0922 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09948 132.8
[M+Na]+ 171.08142 142.5
[M+NH4]+ 166.12602 141.4
[M+K]+ 187.05536 134.2
[M-H]- 147.08492 132.7
[M+Na-2H]- 169.06687 135.6
[M]+ 148.09165 134.5
[M]- 148.09275 134.5
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