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]+ 213.08180 150.3
[M+Na]+ 235.06374 160.2
[M-H]- 211.06724 152.1
[M+NH4]+ 230.10834 168.1
[M+K]+ 251.03768 152.2
[M+H-H2O]+ 195.07178 141.0
[M+HCOO]- 257.07272 160.4
[M+CH3COO]- 271.08837 185.6
[M+Na-2H]- 233.04919 149.9
[M]+ 212.07397 145.3
[M]- 212.07507 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.