CID 146081996

Rac-tert-butyl (4ar,7as)-octahydro-1h-pyrrolo[3,4-b]piperazine-6-carboxylate

Structural Information

Molecular Formula
C11H21N3O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)NCCN2
InChI
InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-8-9(7-14)13-5-4-12-8/h8-9,12-13H,4-7H2,1-3H3/t8-,9+
InChIKey
QLRPYZUXTUSGBV-DTORHVGOSA-N
Compound name
tert-butyl (4aR,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyrazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.16338 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.170656 158.1
[M+Na]+ 250.152598 162.5
[M-H]- 226.156104 154.7
[M+NH4]+ 245.197203 173.6
[M+K]+ 266.126538 159.8
[M+H-H2O]+ 210.160640 151.2
[M+HCOO]- 272.161581 167.9
[M+CH3COO]- 286.177231 183.0
[M+Na-2H]- 248.138046 159.6
[M]+ 227.16283142 151.6
[M]- 227.16392858 151.6
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.