CID 44152076

85237-72-5

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCCCC2=C(CCC1)C=CC=N2
InChI
InChI=1S/C13H19N/c1-2-4-6-10-13-12(8-5-3-1)9-7-11-14-13/h7,9,11H,1-6,8,10H2
InChIKey
BHNLTTSWHMADPU-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10,11,12-octahydrocyclodeca[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 140.8
[M+Na]+ 212.140968 145.1
[M-H]- 188.144474 140.0
[M+NH4]+ 207.185573 157.1
[M+K]+ 228.114908 143.2
[M+H-H2O]+ 172.149010 136.5
[M+HCOO]- 234.149951 158.0
[M+CH3COO]- 248.165601 151.2
[M+Na-2H]- 210.126416 146.9
[M]+ 189.15120142 132.5
[M]- 189.15229858 132.5
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.