CID 57025655

1228182-56-6

Structural Information

Molecular Formula
C24H43NO
SMILES
CCCCCCCCCCCCCCCCCCOCC1=CC=CC=N1
InChI
InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23-24-20-17-18-21-25-24/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKey
CIMKFNVBRHPSRA-UHFFFAOYSA-N
Compound name
2-(octadecoxymethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

361.33447 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.34175 199.3
[M+Na]+ 384.32369 200.1
[M-H]- 360.32719 198.3
[M+NH4]+ 379.36829 210.5
[M+K]+ 400.29763 194.8
[M+H-H2O]+ 344.33173 189.3
[M+HCOO]- 406.33267 217.6
[M+CH3COO]- 420.34832 220.9
[M+Na-2H]- 382.30914 199.4
[M]+ 361.33392 206.6
[M]- 361.33502 206.6
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