CID 12357958

2-methyl-octahydro-1h-[1,4]diazino[1,2-a]pyrazine trihydrochloride

Structural Information

Molecular Formula
C8H17N3
SMILES
CN1CCN2CCNCC2C1
InChI
InChI=1S/C8H17N3/c1-10-4-5-11-3-2-9-6-8(11)7-10/h8-9H,2-7H2,1H3
InChIKey
COECZYAXFDJEEV-UHFFFAOYSA-N
Compound name
2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

155.14224 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.14952 138.0
[M+Na]+ 178.13146 142.6
[M-H]- 154.13496 135.4
[M+NH4]+ 173.17606 154.9
[M+K]+ 194.10540 139.9
[M+H-H2O]+ 138.13950 129.8
[M+HCOO]- 200.14044 149.9
[M+CH3COO]- 214.15609 147.9
[M+Na-2H]- 176.11691 143.3
[M]+ 155.14169 129.1
[M]- 155.14279 129.1
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