CID 44150

8-amino-1,2,3,5,6,7-hexahydrodicyclopenta(b,e)pyridine hydrate

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CC2=C(C1)N=C3CCCC3=C2N
InChI
InChI=1S/C11H14N2/c12-11-7-3-1-5-9(7)13-10-6-2-4-8(10)11/h1-6H2,(H2,12,13)
InChIKey
GCDWZOSVQXZKLZ-UHFFFAOYSA-N
Compound name
2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

174.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.8
[M+Na]+ 197.10491 147.3
[M+NH4]+ 192.14951 147.1
[M+K]+ 213.07885 144.2
[M-H]- 173.10841 139.6
[M+Na-2H]- 195.09036 140.8
[M]+ 174.11514 138.9
[M]- 174.11624 138.9
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

patents stripe