CID 127263762

2007920-67-2

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC12CN(CC1CCN2)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-9-5-6-13-12(9,4)8-14/h9,13H,5-8H2,1-4H3
InChIKey
BTSYWUMATFSQOJ-UHFFFAOYSA-N
Compound name
tert-butyl 6a-methyl-1,2,3,3a,4,6-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.3
[M+Na]+ 249.15734 160.7
[M+NH4]+ 244.20194 162.2
[M+K]+ 265.13128 159.0
[M-H]- 225.16084 152.0
[M+Na-2H]- 247.14279 155.8
[M]+ 226.16757 154.2
[M]- 226.16867 154.2
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

No patent data available for this compound.