CID 52421354

2307777-24-6

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC(C)(C)OC(=O)N1CC(=O)N[C@H]2[C@@H]1CCNC2
InChI
InChI=1S/C12H21N3O3/c1-12(2,3)18-11(17)15-7-10(16)14-8-6-13-5-4-9(8)15/h8-9,13H,4-7H2,1-3H3,(H,14,16)/t8-,9+/m1/s1
InChIKey
SHYRWTGDWRQYRC-BDAKNGLRSA-N
Compound name
tert-butyl (4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydropyrido[3,4-b]pyrazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 163.8
[M+Na]+ 278.14752 168.0
[M-H]- 254.15102 160.1
[M+NH4]+ 273.19212 176.2
[M+K]+ 294.12146 164.9
[M+H-H2O]+ 238.15556 156.4
[M+HCOO]- 300.15650 171.3
[M+CH3COO]- 314.17215 189.2
[M+Na-2H]- 276.13297 165.9
[M]+ 255.15775 156.6
[M]- 255.15885 156.6
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.