CID 123818

Dpv

Structural Information

Molecular Formula
C17H39NO4P
SMILES
CCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3/p+1
InChIKey
QBHFVMDLPTZDOI-UHFFFAOYSA-O
Compound name
2-[dodecoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

390
References

3412
Patents

352.26166 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.26894 194.3
[M+Na]+ 375.25088 205.6
[M-H]- 351.25438 193.8
[M+NH4]+ 370.29548 200.6
[M+K]+ 391.22482 189.7
[M+H-H2O]+ 335.25892 188.6
[M+HCOO]- 397.25986 220.3
[M+CH3COO]- 411.27551 213.1
[M+Na-2H]- 373.23633 197.7
[M]+ 352.26111 198.5
[M]- 352.26221 198.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe