CID 83850090

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

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC1C2CCNC2CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O2/c1-8-9-5-6-13-10(9)7-14(8)11(15)16-12(2,3)4/h8-10,13H,5-7H2,1-4H3
InChIKey
GSHKOLUPGBQEQQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-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

0
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 158.2
[M+Na]+ 249.15734 164.3
[M-H]- 225.16084 158.4
[M+NH4]+ 244.20194 178.0
[M+K]+ 265.13128 162.6
[M+H-H2O]+ 209.16538 152.7
[M+HCOO]- 271.16632 172.7
[M+CH3COO]- 285.18197 186.7
[M+Na-2H]- 247.14279 157.7
[M]+ 226.16757 155.9
[M]- 226.16867 155.9
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.