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

141
References

5856
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 128.1
[M+Na]+ 157.06576 134.9
[M-H]- 133.06926 127.1
[M+NH4]+ 152.11036 150.1
[M+K]+ 173.03970 133.2
[M+H-H2O]+ 117.07380 123.6
[M+HCOO]- 179.07474 145.1
[M+CH3COO]- 193.09039 170.5
[M+Na-2H]- 155.05121 131.1
[M]+ 134.07599 131.0
[M]- 134.07709 131.0
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