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

359
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 110.7
[M+Na]+ 94.992588 121.9
[M-H]- 70.996094 112.0
[M+NH4]+ 90.037193 133.5
[M+K]+ 110.96653 121.0
[M+H-H2O]+ 55.000630 101.2
[M+HCOO]- 117.00157 124.9
[M+CH3COO]- 131.01722 171.0
[M+Na-2H]- 92.978036 115.4
[M]+ 72.002821 107.3
[M]- 72.003919 107.3
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