CID 16228709

1005077-71-3

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC1CC2CN(CC2N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O2/c1-8-5-9-6-14(7-10(9)13-8)11(15)16-12(2,3)4/h8-10,13H,5-7H2,1-4H3
InChIKey
XWFWZDUHQMTADY-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.4
[M+Na]+ 249.15734 161.1
[M+NH4]+ 244.20194 160.9
[M+K]+ 265.13128 161.4
[M-H]- 225.16084 152.3
[M+Na-2H]- 247.14279 154.2
[M]+ 226.16757 154.3
[M]- 226.16867 154.3
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