CID 139101

Methylthioacetylene

Structural Information

Molecular Formula
C3H4S
SMILES
CSC#C
InChI
InChI=1S/C3H4S/c1-3-4-2/h1H,2H3
InChIKey
UKRQTFFXHDKAMD-UHFFFAOYSA-N
Compound name
methylsulfanylethyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

72.00337 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.010646 106.1
[M+Na]+ 94.992588 117.6
[M+NH4]+ 90.037193 112.5
[M+K]+ 110.96653 107.5
[M-H]- 70.996094 99.4
[M+Na-2H]- 92.978036 108.9
[M]+ 72.002821 105.5
[M]- 72.003919 105.5
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