CID 9547035

Pe-nme(12:0/12:0)

Structural Information

Molecular Formula
C30H60NO8P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C30H60NO8P/c1-4-6-8-10-12-14-16-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31-3)39-30(33)23-21-19-17-15-13-11-9-7-5-2/h28,31H,4-27H2,1-3H3,(H,34,35)/t28-/m1/s1
InChIKey
MMJPFLKYGQKRFW-MUUNZHRXSA-N
Compound name
[(2R)-2-dodecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.40564 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.41292 252.5
[M+Na]+ 616.39486 256.5
[M-H]- 592.39836 246.7
[M+NH4]+ 611.43946 257.8
[M+K]+ 632.36880 254.7
[M+H-H2O]+ 576.40290 243.8
[M+HCOO]- 638.40384 256.1
[M+CH3COO]- 652.41949 261.6
[M+Na-2H]- 614.38031 234.6
[M]+ 593.40509 249.5
[M]- 593.40619 249.5
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.