CID 118680

1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine

Structural Information

Molecular Formula
C11H13N
SMILES
C1CC2=CC3=C(CCC3)N=C2C1
InChI
InChI=1S/C11H13N/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h7H,1-6H2
InChIKey
WFEKFUDZCWEZQO-UHFFFAOYSA-N
Compound name
2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

159.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 134.3
[M+Na]+ 182.09402 142.5
[M-H]- 158.09752 138.2
[M+NH4]+ 177.13862 159.4
[M+K]+ 198.06796 139.2
[M+H-H2O]+ 142.10206 128.4
[M+HCOO]- 204.10300 155.3
[M+CH3COO]- 218.11865 148.0
[M+Na-2H]- 180.07947 139.2
[M]+ 159.10425 132.0
[M]- 159.10535 132.0
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

patents stripe