CID 53480920

Lysope(0:0/14:1(9z))

Structural Information

Molecular Formula
C19H38NO7P
SMILES
CCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChI
InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)27-18(16-21)17-26-28(23,24)25-15-14-20/h5-6,18,21H,2-4,7-17,20H2,1H3,(H,23,24)/b6-5-/t18-/m1/s1
InChIKey
OMFJMHRPSFBIAJ-OOFWQKGWSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

423.2386 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.24588 203.8
[M+Na]+ 446.22782 208.8
[M-H]- 422.23132 199.4
[M+NH4]+ 441.27242 203.9
[M+K]+ 462.20176 201.8
[M+H-H2O]+ 406.23586 194.3
[M+HCOO]- 468.23680 212.1
[M+CH3COO]- 482.25245 224.7
[M+Na-2H]- 444.21327 190.2
[M]+ 423.23805 198.3
[M]- 423.23915 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.