CID 49844842

1246551-25-6

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)(C)OC(=O)N1CCN2C(C1)CNC2=O
InChI
InChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)13-4-5-14-8(7-13)6-12-9(14)15/h8H,4-7H2,1-3H3,(H,12,15)
InChIKey
DGPLYBDSJHLYKS-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

241.14264 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.149916 158.9
[M+Na]+ 264.131858 164.8
[M-H]- 240.135364 157.3
[M+NH4]+ 259.176463 174.6
[M+K]+ 280.105798 162.9
[M+H-H2O]+ 224.139900 152.0
[M+HCOO]- 286.140841 170.5
[M+CH3COO]- 300.156491 188.0
[M+Na-2H]- 262.117306 160.4
[M]+ 241.14209142 155.3
[M]- 241.14318858 155.3
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

patents stripe