CID 3086705

Brn 4757470

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=C(C=CC=C2C)C
InChI
InChI=1S/C14H19NO4S/c1-4-19-13-9-8-12(16)15(13)20(17,18)14-10(2)6-5-7-11(14)3/h5-7,13H,4,8-9H2,1-3H3
InChIKey
YOIRETUUUKEDKC-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 166.7
[M+Na]+ 320.09272 175.8
[M-H]- 296.09622 172.8
[M+NH4]+ 315.13732 183.5
[M+K]+ 336.06666 172.5
[M+H-H2O]+ 280.10076 160.5
[M+HCOO]- 342.10170 182.4
[M+CH3COO]- 356.11735 199.9
[M+Na-2H]- 318.07817 165.9
[M]+ 297.10295 171.4
[M]- 297.10405 171.4
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.