CID 109349

68413-50-3

Structural Information

Molecular Formula
C24H44NO2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OCC(C[N+](C)(C)C)O
InChI
InChI=1S/C24H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-22-16-18-24(19-17-22)27-21-23(26)20-25(2,3)4/h16-19,23,26H,5-15,20-21H2,1-4H3/q+1
InChIKey
IBWKUNFSCAKUJN-UHFFFAOYSA-N
Compound name
[3-(4-dodecylphenoxy)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.33722 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.34450 202.9
[M+Na]+ 401.32644 203.9
[M-H]- 377.32994 204.4
[M+NH4]+ 396.37104 214.8
[M+K]+ 417.30038 194.4
[M+H-H2O]+ 361.33448 197.5
[M+HCOO]- 423.33542 220.8
[M+CH3COO]- 437.35107 220.8
[M+Na-2H]- 399.31189 204.5
[M]+ 378.33667 207.9
[M]- 378.33777 207.9
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

No patent data available for this compound.