CID 395901

1,8,11-triazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8-tetraene dihydrochloride

Structural Information

Molecular Formula
C10H11N3
SMILES
C1CN2C(=NC3=CC=CC=C32)CN1
InChI
InChI=1S/C10H11N3/c1-2-4-9-8(3-1)12-10-7-11-5-6-13(9)10/h1-4,11H,5-7H2
InChIKey
CVGPZQMGLKRVJV-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

73
Patents

173.09529 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 135.0
[M+Na]+ 196.08451 144.4
[M-H]- 172.08801 135.0
[M+NH4]+ 191.12911 154.5
[M+K]+ 212.05845 139.6
[M+H-H2O]+ 156.09255 127.0
[M+HCOO]- 218.09349 152.9
[M+CH3COO]- 232.10914 147.4
[M+Na-2H]- 194.06996 143.7
[M]+ 173.09474 132.3
[M]- 173.09584 132.3
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