CID 3058934

75819-66-8

Structural Information

Molecular Formula
C7H15O2S
SMILES
CCOC(=O)CC[S+](C)C
InChI
InChI=1S/C7H15O2S/c1-4-9-7(8)5-6-10(2)3/h4-6H2,1-3H3/q+1
InChIKey
LOHSLRAEICYXDK-UHFFFAOYSA-N
Compound name
(3-ethoxy-3-oxopropyl)-dimethylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07927 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08655 133.9
[M+Na]+ 186.06849 140.5
[M-H]- 162.07199 134.7
[M+NH4]+ 181.11309 155.0
[M+K]+ 202.04243 134.9
[M+H-H2O]+ 146.07653 131.9
[M+HCOO]- 208.07747 150.4
[M+CH3COO]- 222.09312 171.4
[M+Na-2H]- 184.05394 136.9
[M]+ 163.07872 136.9
[M]- 163.07982 136.9
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.