CID 9546712

Pc(o-19:0/0:0)

Structural Information

Molecular Formula
C27H59NO6P
SMILES
CCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C27H58NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(29)26-34-35(30,31)33-24-22-28(2,3)4/h27,29H,5-26H2,1-4H3/p+1/t27-/m1/s1
InChIKey
XPESREFDQRQDRB-HHHXNRCGSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-nonadecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

524.408 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.41528 238.5
[M+Na]+ 547.39722 240.3
[M-H]- 523.40072 230.7
[M+NH4]+ 542.44182 239.2
[M+K]+ 563.37116 237.2
[M+H-H2O]+ 507.40526 222.4
[M+HCOO]- 569.40620 250.5
[M+CH3COO]- 583.42185 244.1
[M+Na-2H]- 545.38267 220.7
[M]+ 524.40745 234.6
[M]- 524.40855 234.6
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