CID 560126

6-mercapto-1-hexanol

Structural Information

Molecular Formula
C6H14OS
SMILES
C(CCCS)CCO
InChI
InChI=1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey
UGZAJZLUKVKCBM-UHFFFAOYSA-N
Compound name
6-sulfanylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

139
References

5363
Patents

134.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08382 128.5
[M+Na]+ 157.06576 138.4
[M+NH4]+ 152.11036 137.3
[M+K]+ 173.03970 130.3
[M-H]- 133.06926 128.4
[M+Na-2H]- 155.05121 131.6
[M]+ 134.07599 130.2
[M]- 134.07709 130.2
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