CID 144582

Methylthio-d3 radical

Structural Information

Molecular Formula
CH3S
SMILES
[2H]C([2H])([2H])[S]
InChI
InChI=1S/CH3S/c1-2/h1H3/i1D3
InChIKey
QSLPNSWXUQHVLP-FIBGUPNXSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

50.014378 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 51.021654 106.1
[M+Na]+ 73.003596 114.5
[M-H]- 49.007102 107.1
[M+NH4]+ 68.048201 131.7
[M+K]+ 88.977536 114.9
[M+H-H2O]+ 33.011638 101.9
[M+HCOO]- 95.012579 125.0
[M+CH3COO]- 109.02823 157.4
[M+Na-2H]- 70.989044 113.2
[M]+ 50.013829 107.9
[M]- 50.014927 107.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.