CID 52929657

Pa(p-16:0/13:0)

Structural Information

Molecular Formula
C32H63O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C32H63O7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-37-29-31(30-38-40(34,35)36)39-32(33)27-25-23-21-19-14-12-10-8-6-4-2/h26,28,31H,3-25,27,29-30H2,1-2H3,(H2,34,35,36)/b28-26-/t31-/m1/s1
InChIKey
MCCZZJYSWPILRB-SKETZCNGSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.43115 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.43843 247.7
[M+Na]+ 613.42037 249.4
[M-H]- 589.42387 236.4
[M+NH4]+ 608.46497 249.3
[M+K]+ 629.39431 249.1
[M+H-H2O]+ 573.42841 238.1
[M+HCOO]- 635.42935 253.5
[M+CH3COO]- 649.44500 257.1
[M+Na-2H]- 611.40582 228.8
[M]+ 590.43060 245.2
[M]- 590.43170 245.2
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

No patent data available for this compound.