CID 165441608

Tert-butyl3a-carbamoyl-octahydro-1h-pyrrolo[3,4-c]pyridine-5-carboxylate

Structural Information

Molecular Formula
C13H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2CNCC2(C1)C(=O)N
InChI
InChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-5-4-9-6-15-7-13(9,8-16)10(14)17/h9,15H,4-8H2,1-3H3,(H2,14,17)
InChIKey
KHPVKEHRKLJPGI-UHFFFAOYSA-N
Compound name
tert-butyl 3a-carbamoyl-2,3,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17395 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18123 162.8
[M+Na]+ 292.16317 167.6
[M+NH4]+ 287.20777 169.1
[M+K]+ 308.13711 165.6
[M-H]- 268.16667 160.2
[M+Na-2H]- 290.14862 163.5
[M]+ 269.17340 162.2
[M]- 269.17450 162.2
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.