CID 129407483

2307733-28-2

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)N[C@@H]2C1
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-5-4-8-6-10(15)13-9(8)7-14/h8-9H,4-7H2,1-3H3,(H,13,15)/t8-,9-/m1/s1
InChIKey
UNUGNCLUUCHAMY-RKDXNWHRSA-N
Compound name
tert-butyl (3aR,7aS)-2-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 158.3
[M+Na]+ 263.13662 163.8
[M-H]- 239.14012 157.9
[M+NH4]+ 258.18122 175.5
[M+K]+ 279.11056 161.7
[M+H-H2O]+ 223.14466 152.2
[M+HCOO]- 285.14560 170.9
[M+CH3COO]- 299.16125 188.1
[M+Na-2H]- 261.12207 159.5
[M]+ 240.14685 154.6
[M]- 240.14795 154.6
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.