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

1148
Patents

329.09332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100596 173.2
[M+Na]+ 352.082538 182.5
[M-H]- 328.086044 178.5
[M+NH4]+ 347.127143 197.2
[M+K]+ 368.056478 180.7
[M+H-H2O]+ 312.090580 172.4
[M+HCOO]- 374.091521 186.6
[M+CH3COO]- 388.107171 202.5
[M+Na-2H]- 350.067986 174.3
[M]+ 329.09277142 179.2
[M]- 329.09386858 179.2
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

patents stripe