CID 3086699

Brn 4755487

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=N2
InChI
InChI=1S/C11H14N2O4S/c1-2-17-11-7-6-10(14)13(11)18(15,16)9-5-3-4-8-12-9/h3-5,8,11H,2,6-7H2,1H3
InChIKey
QNLXHWZUFICEFG-UHFFFAOYSA-N
Compound name
5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0674 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07468 159.0
[M+Na]+ 293.05662 167.8
[M-H]- 269.06012 163.6
[M+NH4]+ 288.10122 175.0
[M+K]+ 309.03056 165.0
[M+H-H2O]+ 253.06466 152.0
[M+HCOO]- 315.06560 174.6
[M+CH3COO]- 329.08125 191.2
[M+Na-2H]- 291.04207 160.7
[M]+ 270.06685 162.2
[M]- 270.06795 162.2
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.