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

1157
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 173.2
[M+Na]+ 352.08254 182.5
[M-H]- 328.08604 178.5
[M+NH4]+ 347.12714 197.2
[M+K]+ 368.05648 180.7
[M+H-H2O]+ 312.09058 172.4
[M+HCOO]- 374.09152 186.6
[M+CH3COO]- 388.10717 202.5
[M+Na-2H]- 350.06799 174.3
[M]+ 329.09277 179.2
[M]- 329.09387 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