CID 131822437

Pa(i-12:0/i-12:0)

Structural Information

Molecular Formula
C27H53O8P
SMILES
CC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C27H53O8P/c1-23(2)17-13-9-5-7-11-15-19-26(28)33-21-25(22-34-36(30,31)32)35-27(29)20-16-12-8-6-10-14-18-24(3)4/h23-25H,5-22H2,1-4H3,(H2,30,31,32)/t25-/m1/s1
InChIKey
NZHPMOYDNWKEOV-RUZDIDTESA-N
Compound name
[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

536.3478 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.35508 232.6
[M+Na]+ 559.33702 236.2
[M-H]- 535.34052 228.5
[M+NH4]+ 554.38162 239.9
[M+K]+ 575.31096 235.3
[M+H-H2O]+ 519.34506 225.4
[M+HCOO]- 581.34600 233.2
[M+CH3COO]- 595.36165 247.1
[M+Na-2H]- 557.32247 217.4
[M]+ 536.34725 231.2
[M]- 536.34835 231.2
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.