CID 146081996

2408937-14-2

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]+ 228.17066 154.7
[M+Na]+ 250.15260 161.5
[M+NH4]+ 245.19720 160.4
[M+K]+ 266.12654 160.2
[M-H]- 226.15610 151.8
[M+Na-2H]- 248.13805 154.7
[M]+ 227.16283 154.3
[M]- 227.16393 154.3
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.