CID 79418

Decahydropyrazino[2,3-b]pyrazine

Structural Information

Molecular Formula
C6H14N4
SMILES
C1CNC2C(N1)NCCN2
InChI
InChI=1S/C6H14N4/c1-2-8-6-5(7-1)9-3-4-10-6/h5-10H,1-4H2
InChIKey
HQJLFRMMLKYIJX-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

44
Patents

142.12184 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.12912 135.7
[M+Na]+ 165.11106 139.2
[M-H]- 141.11456 127.6
[M+NH4]+ 160.15566 149.4
[M+K]+ 181.08500 134.2
[M+H-H2O]+ 125.11910 127.7
[M+HCOO]- 187.12004 142.5
[M+CH3COO]- 201.13569 143.3
[M+Na-2H]- 163.09651 141.4
[M]+ 142.12129 121.0
[M]- 142.12239 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe