CID 758509

10-amino-2,3,4,5,7,8,9-heptahydro-1h-cyclohepta(b)cyclopenta(e)pyridine

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CCC2=C(CC1)N=C3CCCC3=C2N
InChI
InChI=1S/C13H18N2/c14-13-9-5-2-1-3-7-11(9)15-12-8-4-6-10(12)13/h1-8H2,(H2,14,15)
InChIKey
KBQCZWASJBYBSK-UHFFFAOYSA-N
Compound name
2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 144.2
[M+Na]+ 225.13622 153.4
[M+NH4]+ 220.18082 153.4
[M+K]+ 241.11016 149.5
[M-H]- 201.13972 147.1
[M+Na-2H]- 223.12167 148.5
[M]+ 202.14645 146.2
[M]- 202.14755 146.2
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

No patent data available for this compound.