CID 165941523

5-tert-butyl 7a-methyl octahydro-1h-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCC2(CNCC2C1)C(=O)OC
InChI
InChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-5-14(11(17)19-4)9-15-7-10(14)8-16/h10,15H,5-9H2,1-4H3
InChIKey
IYVPHADWQFTEJK-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 7a-O-methyl 2,3,3a,4,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 167.2
[M+Na]+ 307.16282 172.9
[M+NH4]+ 302.20742 173.4
[M+K]+ 323.13676 170.6
[M-H]- 283.16632 164.0
[M+Na-2H]- 305.14827 167.9
[M]+ 284.17305 166.7
[M]- 284.17415 166.7
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.