CID 294861

Butane, 1-(propylthio)-

Structural Information

Molecular Formula
C7H16S
SMILES
CCCCSCCC
InChI
InChI=1S/C7H16S/c1-3-5-7-8-6-4-2/h3-7H2,1-2H3
InChIKey
ZBRWJPVULTZZCE-UHFFFAOYSA-N
Compound name
1-propylsulfanylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1071
Patents

132.09727 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.104546 128.3
[M+Na]+ 155.086488 135.2
[M-H]- 131.089994 128.7
[M+NH4]+ 150.131093 151.2
[M+K]+ 171.060428 134.0
[M+H-H2O]+ 115.094530 123.7
[M+HCOO]- 177.095471 146.3
[M+CH3COO]- 191.111121 174.4
[M+Na-2H]- 153.071936 131.3
[M]+ 132.09672142 132.1
[M]- 132.09781858 132.1
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