CID 5313011

Pc(10:0/4:0)

Structural Information

Molecular Formula
C22H45NO8P
SMILES
CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC
InChI
InChI=1S/C22H44NO8P/c1-6-8-9-10-11-12-13-15-21(24)28-18-20(31-22(25)14-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/p+1/t20-/m1/s1
InChIKey
FTWIALFPWUNAMY-HXUWFJFHSA-O
Compound name
2-[[(2R)-2-butanoyloxy-3-decanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

482.28827 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.29555 220.2
[M+Na]+ 505.27749 225.3
[M-H]- 481.28099 220.8
[M+NH4]+ 500.32209 228.7
[M+K]+ 521.25143 220.1
[M+H-H2O]+ 465.28553 207.6
[M+HCOO]- 527.28647 232.7
[M+CH3COO]- 541.30212 233.8
[M+Na-2H]- 503.26294 207.2
[M]+ 482.28772 218.6
[M]- 482.28882 218.6
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