CID 3697139

379726-16-6

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]+ 202.133876 142.2
[M+Na]+ 224.115818 150.3
[M-H]- 200.119324 146.2
[M+NH4]+ 219.160423 161.3
[M+K]+ 240.089758 149.2
[M+H-H2O]+ 184.123860 135.0
[M+HCOO]- 246.124801 162.2
[M+CH3COO]- 260.140451 154.4
[M+Na-2H]- 222.101266 148.9
[M]+ 201.12605142 137.5
[M]- 201.12714858 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.