CID 6433451

(e)-2-butene-1-thiol

Structural Information

Molecular Formula
C4H8S
SMILES
C/C=C/CS
InChI
InChI=1S/C4H8S/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
InChIKey
PSKWBKFCLVNPMT-NSCUHMNNSA-N
Compound name
(E)-but-2-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1904
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 113.8
[M+Na]+ 111.02389 122.3
[M-H]- 87.027394 114.8
[M+NH4]+ 106.06849 138.4
[M+K]+ 126.99783 121.3
[M+H-H2O]+ 71.031930 109.8
[M+HCOO]- 133.03287 132.9
[M+CH3COO]- 147.04852 163.7
[M+Na-2H]- 109.00934 118.3
[M]+ 88.034121 115.6
[M]- 88.035219 115.6
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