CID 116214

64036-94-8

Structural Information

Molecular Formula
C10H21O2S
SMILES
CCC[S+](CCC)CC(=O)OCC
InChI
InChI=1S/C10H21O2S/c1-4-7-13(8-5-2)9-10(11)12-6-3/h4-9H2,1-3H3/q+1
InChIKey
VJVQXEKKFQTDBE-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl)-dipropylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.12622 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13350 147.9
[M+Na]+ 228.11544 153.2
[M-H]- 204.11894 148.1
[M+NH4]+ 223.16004 167.3
[M+K]+ 244.08938 146.8
[M+H-H2O]+ 188.12348 145.2
[M+HCOO]- 250.12442 163.3
[M+CH3COO]- 264.14007 180.4
[M+Na-2H]- 226.10089 149.4
[M]+ 205.12567 152.0
[M]- 205.12677 152.0
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.