CID 12698218

5,6,7,8-tetrahydronaphthalene-2-thiol

Structural Information

Molecular Formula
C10H12S
SMILES
C1CCC2=C(C1)C=CC(=C2)S
InChI
InChI=1S/C10H12S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
InChIKey
HMSWNXYQGGMCCN-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

164.06598 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07326 130.4
[M+Na]+ 187.05520 138.1
[M-H]- 163.05870 134.9
[M+NH4]+ 182.09980 152.9
[M+K]+ 203.02914 134.9
[M+H-H2O]+ 147.06324 125.2
[M+HCOO]- 209.06418 146.6
[M+CH3COO]- 223.07983 143.9
[M+Na-2H]- 185.04065 135.7
[M]+ 164.06543 129.4
[M]- 164.06653 129.4
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