CID 12272140

5-(methylsulfanyl)pentan-1-ol

Structural Information

Molecular Formula
C6H14OS
SMILES
CSCCCCCO
InChI
InChI=1S/C6H14OS/c1-8-6-4-2-3-5-7/h7H,2-6H2,1H3
InChIKey
ZTCHYZLZZVVQLA-UHFFFAOYSA-N
Compound name
5-methylsulfanylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

134.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.083816 128.1
[M+Na]+ 157.065758 134.9
[M-H]- 133.069264 127.1
[M+NH4]+ 152.110363 150.1
[M+K]+ 173.039698 133.2
[M+H-H2O]+ 117.073800 123.6
[M+HCOO]- 179.074741 145.1
[M+CH3COO]- 193.090391 170.5
[M+Na-2H]- 155.051206 131.1
[M]+ 134.07599142 131.0
[M]- 134.07708858 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

No literature data available for this compound.

Patent stripe

patents stripe