CID 167738694

Tert-butyl 3,3-dimethyl-octahydropyrrolo[3,4-b]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC1(CNC2C1CN(C2)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-6-9-10(7-15)14-8-13(9,4)5/h9-10,14H,6-8H2,1-5H3
InChIKey
AFMIHICFPVOYBJ-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-dimethyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 158.1
[M+Na]+ 263.17300 164.7
[M+NH4]+ 258.21760 165.9
[M+K]+ 279.14694 163.0
[M-H]- 239.17650 155.9
[M+Na-2H]- 261.15845 159.2
[M]+ 240.18323 158.1
[M]- 240.18433 158.1
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.