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

4068
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 113.9
[M-H]- 87.027394 111.6
[M+NH4]+ 106.06849 125.4
[M+K]+ 126.99783 116.4
[M+H-H2O]+ 71.031930 98.0
[M+HCOO]- 133.03287 125.1
[M+CH3COO]- 147.04852 167.2
[M+Na-2H]- 109.00934 112.3
[M]+ 88.034121 116.1
[M]- 88.035219 116.1
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