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

10
Patents

361.33447 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.341746 199.3
[M+Na]+ 384.323688 200.1
[M-H]- 360.327194 198.3
[M+NH4]+ 379.368293 210.5
[M+K]+ 400.297628 194.8
[M+H-H2O]+ 344.331730 189.3
[M+HCOO]- 406.332671 217.6
[M+CH3COO]- 420.348321 220.9
[M+Na-2H]- 382.309136 199.4
[M]+ 361.33392142 206.6
[M]- 361.33501858 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