CID 131822275

Pa(10:0/i-20:0)

Structural Information

Molecular Formula
C33H65O8P
SMILES
CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C33H65O8P/c1-4-5-6-7-16-20-23-26-32(34)39-28-31(29-40-42(36,37)38)41-33(35)27-24-21-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31H,4-29H2,1-3H3,(H2,36,37,38)/t31-/m1/s1
InChIKey
DJBYNQRGGITZHH-WJOKGBTCSA-N
Compound name
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

620.4417 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.44898 256.3
[M+Na]+ 643.43092 257.1
[M+NH4]+ 638.47552 261.2
[M+K]+ 659.40486 256.8
[M-H]- 619.43442 246.8
[M+Na-2H]- 641.41637 256.9
[M]+ 620.44115 254.4
[M]- 620.44225 254.4
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.