CID 256808

Amyl 2-hydroxyethyl sulfide

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

99
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 132.5
[M+Na]+ 171.08142 138.9
[M-H]- 147.08492 131.4
[M+NH4]+ 166.12602 153.9
[M+K]+ 187.05536 137.0
[M+H-H2O]+ 131.08946 127.8
[M+HCOO]- 193.09040 149.3
[M+CH3COO]- 207.10605 173.5
[M+Na-2H]- 169.06687 135.0
[M]+ 148.09165 135.8
[M]- 148.09275 135.8
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