CID 13347620

4-(ethylsulfanyl)but-1-yne

Structural Information

Molecular Formula
C6H10S
SMILES
CCSCCC#C
InChI
InChI=1S/C6H10S/c1-3-5-6-7-4-2/h1H,4-6H2,2H3
InChIKey
FGHVAHPYAFIQFO-UHFFFAOYSA-N
Compound name
4-ethylsulfanylbut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

114.05032 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05760 117.8
[M+Na]+ 137.03954 128.8
[M+NH4]+ 132.08414 123.8
[M+K]+ 153.01348 118.1
[M-H]- 113.04304 111.0
[M+Na-2H]- 135.02499 119.9
[M]+ 114.04977 117.1
[M]- 114.05087 117.1
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