CID 281460

98243-59-5

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(=O)N2
InChI
InChI=1S/C12H15NO4S/c1-9-2-5-11(6-3-9)18(15,16)17-8-10-4-7-12(14)13-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,13,14)
InChIKey
AMZNHHZJURKRFX-UHFFFAOYSA-N
Compound name
(5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

269.07217 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 160.1
[M+Na]+ 292.06139 169.7
[M+NH4]+ 287.10599 166.4
[M+K]+ 308.03533 165.1
[M-H]- 268.06489 160.4
[M+Na-2H]- 290.04684 164.0
[M]+ 269.07162 161.7
[M]- 269.07272 161.7
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

patents stripe