CID 3066681

(4-(2,5-dioxopyrrolidinyl)-2-butynyl)thiolanium perchlorate

Structural Information

Molecular Formula
C12H16NO2S
SMILES
C1CC[S+](C1)CC#CCN2C(=O)CCC2=O
InChI
InChI=1S/C12H16NO2S/c14-11-5-6-12(15)13(11)7-1-2-8-16-9-3-4-10-16/h3-10H2/q+1
InChIKey
UCGJUQWXWZCBRW-UHFFFAOYSA-N
Compound name
1-[4-(thiolan-1-ium-1-yl)but-2-ynyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09018 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09746 161.8
[M+Na]+ 261.07940 171.3
[M-H]- 237.08290 165.7
[M+NH4]+ 256.12400 179.9
[M+K]+ 277.05334 161.4
[M+H-H2O]+ 221.08744 152.0
[M+HCOO]- 283.08838 171.9
[M+CH3COO]- 297.10403 187.4
[M+Na-2H]- 259.06485 159.5
[M]+ 238.08963 154.2
[M]- 238.09073 154.2
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.