CID 3066677

(4-(2-oxopyrrolidinyl)-2-butynyl)thiolanium perchlorate

Structural Information

Molecular Formula
C12H18NOS
SMILES
C1CC[S+](C1)CC#CCN2CCCC2=O
InChI
InChI=1S/C12H18NOS/c14-12-6-5-8-13(12)7-1-2-9-15-10-3-4-11-15/h3-11H2/q+1
InChIKey
SQWHQQSZBDNYFU-UHFFFAOYSA-N
Compound name
1-[4-(thiolan-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11092 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11820 159.0
[M+Na]+ 247.10014 167.8
[M-H]- 223.10364 162.7
[M+NH4]+ 242.14474 177.5
[M+K]+ 263.07408 158.0
[M+H-H2O]+ 207.10818 148.9
[M+HCOO]- 269.10912 168.8
[M+CH3COO]- 283.12477 185.7
[M+Na-2H]- 245.08559 157.1
[M]+ 224.11037 150.5
[M]- 224.11147 150.5
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.