CID 96440

2-(dodecyloxy)pyridine

Structural Information

Molecular Formula
C17H29NO
SMILES
CCCCCCCCCCCCOC1=CC=CC=N1
InChI
InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-17/h11-12,14-15H,2-10,13,16H2,1H3
InChIKey
PQKOSPVOQVXHCT-UHFFFAOYSA-N
Compound name
2-dodecoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.2249 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.232176 168.2
[M+Na]+ 286.214118 172.1
[M-H]- 262.217624 168.6
[M+NH4]+ 281.258723 183.5
[M+K]+ 302.188058 168.6
[M+H-H2O]+ 246.222160 159.7
[M+HCOO]- 308.223101 188.9
[M+CH3COO]- 322.238751 200.1
[M+Na-2H]- 284.199566 172.1
[M]+ 263.22435142 172.9
[M]- 263.22544858 172.9
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