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]+ 135.08382 128.1
[M+Na]+ 157.06576 134.9
[M-H]- 133.06926 127.1
[M+NH4]+ 152.11036 150.1
[M+K]+ 173.03970 133.2
[M+H-H2O]+ 117.07380 123.6
[M+HCOO]- 179.07474 145.1
[M+CH3COO]- 193.09039 170.5
[M+Na-2H]- 155.05121 131.1
[M]+ 134.07599 131.0
[M]- 134.07709 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