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

37
Patents

241.14264 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14992 158.9
[M+Na]+ 264.13186 164.8
[M-H]- 240.13536 157.3
[M+NH4]+ 259.17646 174.6
[M+K]+ 280.10580 162.9
[M+H-H2O]+ 224.13990 152.0
[M+HCOO]- 286.14084 170.5
[M+CH3COO]- 300.15649 188.0
[M+Na-2H]- 262.11731 160.4
[M]+ 241.14209 155.3
[M]- 241.14319 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