CID 1519435

159991-07-8

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1CNC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKey
LGEWGFOMLJQHLL-VHSXEESVSA-N
Compound name
tert-butyl (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

342
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 154.6
[M+Na]+ 249.15734 162.0
[M+NH4]+ 244.20194 161.3
[M+K]+ 265.13128 159.8
[M-H]- 225.16084 153.0
[M+Na-2H]- 247.14279 155.4
[M]+ 226.16757 154.7
[M]- 226.16867 154.7
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

patents stripe