CID 71306008

1251004-07-5

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(=O)NC[C@H]2C1
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8-4-10(15)13-5-9(8)7-14/h8-9H,4-7H2,1-3H3,(H,13,15)/t8-,9+/m1/s1
InChIKey
ZRLSHURDLKOJJN-BDAKNGLRSA-N
Compound name
tert-butyl (3aS,7aS)-6-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 156.3
[M+Na]+ 263.13662 163.6
[M+NH4]+ 258.18122 162.2
[M+K]+ 279.11056 162.2
[M-H]- 239.14012 154.1
[M+Na-2H]- 261.12207 156.3
[M]+ 240.14685 156.2
[M]- 240.14795 156.2
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.