CID 76849820

1211593-03-1

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CN=C2C=O)C1
InChI
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)14-4-5-15-9(7-14)6-13-10(15)8-16/h6,8H,4-5,7H2,1-3H3
InChIKey
GCAOAXTVSBYBBZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.127 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 159.4
[M+Na]+ 274.11622 167.3
[M-H]- 250.11972 159.8
[M+NH4]+ 269.16082 175.6
[M+K]+ 290.09016 165.6
[M+H-H2O]+ 234.12426 152.0
[M+HCOO]- 296.12520 175.1
[M+CH3COO]- 310.14085 192.6
[M+Na-2H]- 272.10167 162.8
[M]+ 251.12645 160.9
[M]- 251.12755 160.9
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