CID 13999816

Bicyclo[1.1.1]pentane-1-thiol

Structural Information

Molecular Formula
C5H8S
SMILES
C1C2CC1(C2)S
InChI
InChI=1S/C5H8S/c6-5-1-4(2-5)3-5/h4,6H,1-3H2
InChIKey
MNIXWZWNWJVBPO-UHFFFAOYSA-N
Compound name
bicyclo[1.1.1]pentane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

100.03467 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.04195 122.1
[M+Na]+ 123.02389 125.6
[M-H]- 99.027394 125.1
[M+NH4]+ 118.06849 129.5
[M+K]+ 138.99783 132.1
[M+H-H2O]+ 83.031930 108.2
[M+HCOO]- 145.03287 132.3
[M+CH3COO]- 159.04852 198.3
[M+Na-2H]- 121.00934 128.8
[M]+ 100.03412 147.4
[M]- 100.03522 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe