CID 166150757

Tert-butyl 5-(chlorosulfonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate

Structural Information

Molecular Formula
C11H19ClN2O4S
SMILES
CC(C)(C)OC(=O)N1CC2CN(CC2C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H19ClN2O4S/c1-11(2,3)18-10(15)13-4-8-6-14(19(12,16)17)7-9(8)5-13/h8-9H,4-7H2,1-3H3
InChIKey
CRQJRAXAXGHUIZ-UHFFFAOYSA-N
Compound name
tert-butyl 5-chlorosulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.0754 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08268 173.6
[M+Na]+ 333.06462 181.9
[M-H]- 309.06812 175.9
[M+NH4]+ 328.10922 192.1
[M+K]+ 349.03856 179.7
[M+H-H2O]+ 293.07266 169.9
[M+HCOO]- 355.07360 179.6
[M+CH3COO]- 369.08925 196.7
[M+Na-2H]- 331.05007 172.8
[M]+ 310.07485 178.2
[M]- 310.07595 178.2
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