CID 81047

2,3-cyclododecenopyridine

Structural Information

Molecular Formula
C15H23N
SMILES
C1CCCCCC2=C(CCCC1)C=CC=N2
InChI
InChI=1S/C15H23N/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h9,11,13H,1-8,10,12H2
InChIKey
KEOGXNQAWCDJJN-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

217.18304 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 149.6
[M+Na]+ 240.17226 152.5
[M-H]- 216.17576 148.9
[M+NH4]+ 235.21686 164.4
[M+K]+ 256.14620 150.2
[M+H-H2O]+ 200.18030 145.0
[M+HCOO]- 262.18124 165.1
[M+CH3COO]- 276.19689 158.8
[M+Na-2H]- 238.15771 154.2
[M]+ 217.18249 139.5
[M]- 217.18359 139.5
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

patents stripe