CID 3067837

5h-pyrazino(2,3-d)azepin-2-amine, 6,7,8,9-tetrahydro-7-ethyl-, dihydrochloride

Structural Information

Molecular Formula
C10H16N4
SMILES
CCN1CCC2=NC=C(N=C2CC1)N
InChI
InChI=1S/C10H16N4/c1-2-14-5-3-8-9(4-6-14)13-10(11)7-12-8/h7H,2-6H2,1H3,(H2,11,13)
InChIKey
PPYXVCIIADJKCY-UHFFFAOYSA-N
Compound name
7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

192.1375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 141.5
[M+Na]+ 215.12672 148.0
[M-H]- 191.13022 142.6
[M+NH4]+ 210.17132 156.8
[M+K]+ 231.10066 148.9
[M+H-H2O]+ 175.13476 132.5
[M+HCOO]- 237.13570 158.8
[M+CH3COO]- 251.15135 152.4
[M+Na-2H]- 213.11217 148.1
[M]+ 192.13695 135.6
[M]- 192.13805 135.6
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