CID 20662733

Hydroxymethyl(dimethyl)sulfanium

Structural Information

Molecular Formula
C3H9OS
SMILES
C[S+](C)CO
InChI
InChI=1S/C3H9OS/c1-5(2)3-4/h4H,3H2,1-2H3/q+1
InChIKey
AHGIMOGHARZPKI-UHFFFAOYSA-N
Compound name
hydroxymethyl(dimethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

93.037415 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.044691 113.2
[M+Na]+ 116.026633 121.0
[M-H]- 92.030139 113.2
[M+NH4]+ 111.071238 136.5
[M+K]+ 132.000573 115.3
[M+H-H2O]+ 76.034675 112.2
[M+HCOO]- 138.035616 130.0
[M+CH3COO]- 152.051266 155.6
[M+Na-2H]- 114.012081 118.8
[M]+ 93.03686642 112.8
[M]- 93.03796358 112.8
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

patents stripe