CID 79241

2-(butylthio)ethanol

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

149
Patents

134.07654 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe