CID 10560

2-butanethiol

Structural Information

Molecular Formula
C4H10S
SMILES
CCC(C)S
InChI
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey
LOCHFZBWPCLPAN-UHFFFAOYSA-N
Compound name
butane-2-thiol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

11103
Patents

90.05032 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.057596 116.9
[M+Na]+ 113.03954 127.9
[M+NH4]+ 108.08414 126.9
[M+K]+ 129.01348 120.3
[M-H]- 89.043044 117.8
[M+Na-2H]- 111.02499 121.2
[M]+ 90.049771 119.2
[M]- 90.050869 119.2
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