CID 92133242

1936595-13-9

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCNC2=C1N=CC=C2
InChI
InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-8-7-13-9-5-4-6-14-10(9)15/h4-6,13H,7-8H2,1-3H3
InChIKey
MVNGGKKUFPYUSJ-UHFFFAOYSA-N
Compound name
tert-butyl 2,3-dihydro-1H-pyrido[2,3-b]pyrazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 156.8
[M+Na]+ 258.12130 163.4
[M-H]- 234.12480 155.4
[M+NH4]+ 253.16590 171.0
[M+K]+ 274.09524 160.4
[M+H-H2O]+ 218.12934 148.9
[M+HCOO]- 280.13028 169.9
[M+CH3COO]- 294.14593 187.7
[M+Na-2H]- 256.10675 163.1
[M]+ 235.13153 154.6
[M]- 235.13263 154.6
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

patents stripe