CID 18994009

1-cyclohexylethane-1-thiol

Structural Information

Molecular Formula
C8H16S
SMILES
CC(C1CCCCC1)S
InChI
InChI=1S/C8H16S/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKey
ZXQYPARNFOKKKR-UHFFFAOYSA-N
Compound name
1-cyclohexylethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

144.09727 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10455 131.0
[M+Na]+ 167.08649 135.6
[M-H]- 143.08999 133.9
[M+NH4]+ 162.13109 152.8
[M+K]+ 183.06043 134.5
[M+H-H2O]+ 127.09453 125.8
[M+HCOO]- 189.09547 145.2
[M+CH3COO]- 203.11112 174.3
[M+Na-2H]- 165.07194 132.2
[M]+ 144.09672 127.9
[M]- 144.09782 127.9
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