CID 3697139

1,8-diazatricyclo[7.5.0.0,2,7]tetradeca-2,4,6,8-tetraen-5-amine

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CCC2=NC3=C(N2CC1)C=CC(=C3)N
InChI
InChI=1S/C12H15N3/c13-9-5-6-11-10(8-9)14-12-4-2-1-3-7-15(11)12/h5-6,8H,1-4,7,13H2
InChIKey
AYNMZNDKCQYSAU-UHFFFAOYSA-N
Compound name
7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

201.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 141.8
[M+Na]+ 224.11582 152.6
[M+NH4]+ 219.16042 150.4
[M+K]+ 240.08976 148.8
[M-H]- 200.11932 144.3
[M+Na-2H]- 222.10127 147.5
[M]+ 201.12605 144.0
[M]- 201.12715 144.0
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

No patent data available for this compound.