CID 165650859

2751615-25-3

Structural Information

Molecular Formula
C11H19FN2O4S
SMILES
CC(C)(C)OC(=O)N1CC2CNCC2(C1)S(=O)(=O)F
InChI
InChI=1S/C11H19FN2O4S/c1-10(2,3)18-9(15)14-5-8-4-13-6-11(8,7-14)19(12,16)17/h8,13H,4-7H2,1-3H3
InChIKey
GYIWZZSSXVTXKA-UHFFFAOYSA-N
Compound name
tert-butyl 3a-fluorosulfonyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10495 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11223 167.6
[M+Na]+ 317.09417 174.8
[M-H]- 293.09767 166.7
[M+NH4]+ 312.13877 186.8
[M+K]+ 333.06811 173.3
[M+H-H2O]+ 277.10221 163.5
[M+HCOO]- 339.10315 175.7
[M+CH3COO]- 353.11880 191.5
[M+Na-2H]- 315.07962 168.8
[M]+ 294.10440 167.7
[M]- 294.10550 167.7
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

No patent data available for this compound.