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 142.2
[M+Na]+ 224.11582 150.3
[M-H]- 200.11932 146.2
[M+NH4]+ 219.16042 161.3
[M+K]+ 240.08976 149.2
[M+H-H2O]+ 184.12386 135.0
[M+HCOO]- 246.12480 162.2
[M+CH3COO]- 260.14045 154.4
[M+Na-2H]- 222.10127 148.9
[M]+ 201.12605 137.5
[M]- 201.12715 137.5
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.