CID 195807

Acrylyl-paf

Structural Information

Molecular Formula
C27H55NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C=C
InChI
InChI=1S/C27H54NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-24-26(35-27(29)7-2)25-34-36(30,31)33-23-21-28(3,4)5/h7,26H,2,6,8-25H2,1,3-5H3/p+1/t26-/m1/s1
InChIKey
FZTHXYOLVRRAMJ-AREMUKBSSA-O
Compound name
2-[[(2R)-3-hexadecoxy-2-prop-2-enoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

536.37164 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.37892 236.1
[M+Na]+ 559.36086 240.1
[M-H]- 535.36436 232.5
[M+NH4]+ 554.40546 242.1
[M+K]+ 575.33480 236.7
[M+H-H2O]+ 519.36890 222.1
[M+HCOO]- 581.36984 248.9
[M+CH3COO]- 595.38549 246.3
[M+Na-2H]- 557.34631 220.5
[M]+ 536.37109 233.8
[M]- 536.37219 233.8
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.