CID 3066675

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

Structural Information

Molecular Formula
C10H16NOS
SMILES
C[S+](C)CC#CCN1CCCC1=O
InChI
InChI=1S/C10H16NOS/c1-13(2)9-4-3-7-11-8-5-6-10(11)12/h5-9H2,1-2H3/q+1
InChIKey
CWURVHGXDQZKII-UHFFFAOYSA-N
Compound name
dimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09526 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10254 148.2
[M+Na]+ 221.08448 157.3
[M-H]- 197.08798 149.7
[M+NH4]+ 216.12908 166.4
[M+K]+ 237.05842 149.4
[M+H-H2O]+ 181.09252 138.7
[M+HCOO]- 243.09346 158.0
[M+CH3COO]- 257.10911 183.9
[M+Na-2H]- 219.06993 148.2
[M]+ 198.09471 142.2
[M]- 198.09581 142.2
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.