CID 543741

Cyclobutanethiol

Structural Information

Molecular Formula
C4H8S
SMILES
C1CC(C1)S
InChI
InChI=1S/C4H8S/c5-4-2-1-3-4/h4-5H,1-3H2
InChIKey
WEMTXCOQGNENQZ-UHFFFAOYSA-N
Compound name
cyclobutanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2112
Patents

88.03467 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.041946 107.7
[M+Na]+ 111.02389 114.5
[M+NH4]+ 106.06849 114.4
[M+K]+ 126.99783 109.1
[M-H]- 87.027394 107.5
[M+Na-2H]- 109.00934 111.5
[M]+ 88.034121 107.9
[M]- 88.035219 107.9
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