CID 5313911

Pc(o-16:0/5:0)

Structural Information

Molecular Formula
C29H61NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC
InChI
InChI=1S/C29H60NO7P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-34-26-28(37-29(31)22-9-7-2)27-36-38(32,33)35-25-23-30(3,4)5/h28H,6-27H2,1-5H3/p+1/t28-/m1/s1
InChIKey
XOMXEVYXKNFHHF-MUUNZHRXSA-O
Compound name
2-[[(2R)-3-hexadecoxy-2-pentanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

566.4186 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.42588 246.0
[M+Na]+ 589.40782 249.1
[M-H]- 565.41132 240.9
[M+NH4]+ 584.45242 251.6
[M+K]+ 605.38176 246.8
[M+H-H2O]+ 549.41586 231.7
[M+HCOO]- 611.41680 257.3
[M+CH3COO]- 625.43245 252.9
[M+Na-2H]- 587.39327 228.9
[M]+ 566.41805 243.7
[M]- 566.41915 243.7
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