CID 21954565

179419-32-0

Structural Information

Molecular Formula
C14H19NO6S
SMILES
CC1(C2CCC1(C(=O)C2)CS(=O)(=O)ON3C(=O)CCC3=O)C
InChI
InChI=1S/C14H19NO6S/c1-13(2)9-5-6-14(13,10(16)7-9)8-22(19,20)21-15-11(17)3-4-12(15)18/h9H,3-8H2,1-2H3
InChIKey
QVCXHENTVHRSEB-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

658
Patents

329.09332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10060 174.9
[M+Na]+ 352.08254 179.4
[M+NH4]+ 347.12714 182.7
[M+K]+ 368.05648 176.7
[M-H]- 328.08604 171.9
[M+Na-2H]- 350.06799 175.6
[M]+ 329.09277 174.9
[M]- 329.09387 174.9
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