CID 3066679

Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate

Structural Information

Molecular Formula
C10H14NO2S
SMILES
C[S+](C)CC#CCN1C(=O)CCC1=O
InChI
InChI=1S/C10H14NO2S/c1-14(2)8-4-3-7-11-9(12)5-6-10(11)13/h5-8H2,1-2H3/q+1
InChIKey
KRUUUWIBMFANAB-UHFFFAOYSA-N
Compound name
4-(2,5-dioxopyrrolidin-1-yl)but-2-ynyl-dimethylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07452 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.081796 150.3
[M+Na]+ 235.063738 160.2
[M-H]- 211.067244 152.1
[M+NH4]+ 230.108343 168.1
[M+K]+ 251.037678 152.2
[M+H-H2O]+ 195.071780 141.0
[M+HCOO]- 257.072721 160.4
[M+CH3COO]- 271.088371 185.6
[M+Na-2H]- 233.049186 149.9
[M]+ 212.07397142 145.3
[M]- 212.07506858 145.3
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.