CID 21259899

3-methylcyclohexane-1-thiol

Structural Information

Molecular Formula
C7H14S
SMILES
CC1CCCC(C1)S
InChI
InChI=1S/C7H14S/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKey
PWHHTYJQSMSOEC-UHFFFAOYSA-N
Compound name
3-methylcyclohexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

130.08162 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08890 125.5
[M+Na]+ 153.07084 131.8
[M-H]- 129.07434 128.9
[M+NH4]+ 148.11544 148.3
[M+K]+ 169.04478 130.4
[M+H-H2O]+ 113.07888 120.7
[M+HCOO]- 175.07982 141.0
[M+CH3COO]- 189.09547 171.5
[M+Na-2H]- 151.05629 127.7
[M]+ 130.08107 123.0
[M]- 130.08217 123.0
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