CID 13367

Allyl mercaptan

Structural Information

Molecular Formula
C3H6S
SMILES
C=CCS
InChI
InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2
InChIKey
ULIKDJVNUXNQHS-UHFFFAOYSA-N
Compound name
prop-2-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

7329
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 111.9
[M+Na]+ 97.008238 123.5
[M+NH4]+ 92.052843 121.8
[M+K]+ 112.98218 115.1
[M-H]- 73.011744 112.8
[M+Na-2H]- 94.993686 116.6
[M]+ 74.018471 114.2
[M]- 74.019569 114.2
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