CID 124086851

2-butylhexane-1-thiol

Structural Information

Molecular Formula
C10H22S
SMILES
CCCCC(CCCC)CS
InChI
InChI=1S/C10H22S/c1-3-5-7-10(9-11)8-6-4-2/h10-11H,3-9H2,1-2H3
InChIKey
AOEDYRARZKRGGY-UHFFFAOYSA-N
Compound name
2-butylhexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

174.14423 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.15151 142.4
[M+Na]+ 197.13345 147.7
[M-H]- 173.13695 142.3
[M+NH4]+ 192.17805 163.5
[M+K]+ 213.10739 146.0
[M+H-H2O]+ 157.14149 137.1
[M+HCOO]- 219.14243 158.3
[M+CH3COO]- 233.15808 184.2
[M+Na-2H]- 195.11890 142.6
[M]+ 174.14368 146.6
[M]- 174.14478 146.6
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