CID 131822445

Pa(i-12:0/i-20:0)

Structural Information

Molecular Formula
C35H69O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C35H69O8P/c1-31(2)25-21-17-13-11-9-7-5-6-8-10-12-14-20-24-28-35(37)43-33(30-42-44(38,39)40)29-41-34(36)27-23-19-16-15-18-22-26-32(3)4/h31-33H,5-30H2,1-4H3,(H2,38,39,40)/t33-/m1/s1
InChIKey
SQCBMGUSNFVGQM-MGBGTMOVSA-N
Compound name
[(2R)-1-(10-methylundecanoyloxy)-3-phosphonooxypropan-2-yl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

648.473 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.48028 260.3
[M+Na]+ 671.46222 262.5
[M-H]- 647.46572 253.1
[M+NH4]+ 666.50682 267.4
[M+K]+ 687.43616 264.9
[M+H-H2O]+ 631.47026 252.2
[M+HCOO]- 693.47120 257.6
[M+CH3COO]- 707.48685 269.1
[M+Na-2H]- 669.44767 241.6
[M]+ 648.47245 259.2
[M]- 648.47355 259.2
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.