CID 1147

Trimethylsulfonium

Structural Information

Molecular Formula
C3H9S
SMILES
C[S+](C)C
InChI
InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
InChIKey
NRZWQKGABZFFKE-UHFFFAOYSA-N
Compound name
trimethylsulfanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

30
References

21764
Patents

77.042496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 78.049772 108.7
[M+Na]+ 100.03171 117.0
[M-H]- 76.035220 110.3
[M+NH4]+ 95.076319 133.4
[M+K]+ 116.00565 112.1
[M+H-H2O]+ 60.039756 107.8
[M+HCOO]- 122.04070 126.7
[M+CH3COO]- 136.05635 156.7
[M+Na-2H]- 98.017162 114.8
[M]+ 77.041947 108.8
[M]- 77.043045 108.8
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