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

492
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 159.5
[M+Na]+ 292.06139 167.3
[M-H]- 268.06489 163.8
[M+NH4]+ 287.10599 176.2
[M+K]+ 308.03533 163.6
[M+H-H2O]+ 252.06943 153.4
[M+HCOO]- 314.07037 174.5
[M+CH3COO]- 328.08602 189.0
[M+Na-2H]- 290.04684 160.5
[M]+ 269.07162 160.8
[M]- 269.07272 160.8
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