CID 11002

Dibutyl sulfide

Structural Information

Molecular Formula
C8H18S
SMILES
CCCCSCCCC
InChI
InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey
HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Compound name
1-butylsulfanylbutane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

21
References

10492
Patents

146.11292 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.12020 132.8
[M+Na]+ 169.10214 139.3
[M-H]- 145.10564 133.0
[M+NH4]+ 164.14674 155.1
[M+K]+ 185.07608 137.7
[M+H-H2O]+ 129.11018 127.9
[M+HCOO]- 191.11112 150.5
[M+CH3COO]- 205.12677 177.4
[M+Na-2H]- 167.08759 135.2
[M]+ 146.11237 136.9
[M]- 146.11347 136.9
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