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

24
Patents

192.1375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.144776 141.5
[M+Na]+ 215.126718 148.0
[M-H]- 191.130224 142.6
[M+NH4]+ 210.171323 156.8
[M+K]+ 231.100658 148.9
[M+H-H2O]+ 175.134760 132.5
[M+HCOO]- 237.135701 158.8
[M+CH3COO]- 251.151351 152.4
[M+Na-2H]- 213.112166 148.1
[M]+ 192.13695142 135.6
[M]- 192.13804858 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