CID 120026

5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CCCC2=C(CC1)C=CC=N2
InChI
InChI=1S/C11H15N/c1-2-4-8-11-10(6-3-1)7-5-9-12-11/h5,7,9H,1-4,6,8H2
InChIKey
ZCXXDEJQLTXXJL-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

161.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 143.9
[M+Na]+ 184.109668 148.3
[M-H]- 160.113174 145.3
[M+NH4]+ 179.154273 153.1
[M+K]+ 200.083608 148.2
[M+H-H2O]+ 144.117710 140.0
[M+HCOO]- 206.118651 152.6
[M+CH3COO]- 220.134301 149.1
[M+Na-2H]- 182.095116 146.0
[M]+ 161.11990142 142.1
[M]- 161.12099858 142.1
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