CID 5366351

1-propene-1-thiol

Structural Information

Molecular Formula
C3H6S
SMILES
C/C=C/S
InChI
InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+
InChIKey
RIZGKEIRSQLIBK-NSCUHMNNSA-N
Compound name
(E)-prop-1-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

74.01902 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.026296 112.0
[M+Na]+ 97.008238 123.6
[M+NH4]+ 92.052843 122.0
[M+K]+ 112.98218 115.3
[M-H]- 73.011744 112.9
[M+Na-2H]- 94.993686 116.8
[M]+ 74.018471 114.4
[M]- 74.019569 114.4
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