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]+ 199.102536 148.2
[M+Na]+ 221.084478 157.3
[M-H]- 197.087984 149.7
[M+NH4]+ 216.129083 166.4
[M+K]+ 237.058418 149.4
[M+H-H2O]+ 181.092520 138.7
[M+HCOO]- 243.093461 158.0
[M+CH3COO]- 257.109111 183.9
[M+Na-2H]- 219.069926 148.2
[M]+ 198.09471142 142.2
[M]- 198.09580858 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.