CID 10323835

Erufosine

Structural Information

Molecular Formula
C28H59NO4P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCOP(=O)(O)OCCC[N+](C)(C)C
InChI
InChI=1S/C28H58NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32-34(30,31)33-28-25-26-29(2,3)4/h12-13H,5-11,14-28H2,1-4H3/p+1/b13-12-
InChIKey
JRNJGNRNGUZCTF-SEYXRHQNSA-O
Compound name
3-[[(Z)-docos-13-enoxy]-hydroxyphosphoryl]oxypropyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

5
Patents

504.41818 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.42546 238.3
[M+Na]+ 527.40740 242.2
[M-H]- 503.41090 228.6
[M+NH4]+ 522.45200 238.6
[M+K]+ 543.38134 238.7
[M+H-H2O]+ 487.41544 222.5
[M+HCOO]- 549.41638 254.9
[M+CH3COO]- 563.43203 243.8
[M+Na-2H]- 525.39285 221.4
[M]+ 504.41763 235.2
[M]- 504.41873 235.2
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