CID 155820576

2460749-43-1

Structural Information

Molecular Formula
C13H23N3O4
SMILES
CC(C)(C)OC(=O)N1CC(=O)N2CCOCC2(C1)CN
InChI
InChI=1S/C13H23N3O4/c1-12(2,3)20-11(18)15-6-10(17)16-4-5-19-9-13(16,7-14)8-15/h4-9,14H2,1-3H3
InChIKey
IBJZTCDZHYEAPT-UHFFFAOYSA-N
Compound name
tert-butyl 9a-(aminomethyl)-6-oxo-3,4,7,9-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.16885 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.17613 167.5
[M+Na]+ 308.15807 172.1
[M-H]- 284.16157 168.2
[M+NH4]+ 303.20267 181.6
[M+K]+ 324.13201 172.3
[M+H-H2O]+ 268.16611 160.5
[M+HCOO]- 330.16705 178.7
[M+CH3COO]- 344.18270 200.6
[M+Na-2H]- 306.14352 171.9
[M]+ 285.16830 164.6
[M]- 285.16940 164.6
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.