CID 5314004

Lpc(21:0)

Structural Information

Molecular Formula
C29H61NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C29H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30(2,3)4/h28,31H,5-27H2,1-4H3/p+1/t28-/m1/s1
InChIKey
XZZSYDYWLNENCT-MUUNZHRXSA-O
Compound name
2-[[(2R)-3-henicosanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

566.4186 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.42588 244.2
[M+Na]+ 589.40782 246.3
[M-H]- 565.41132 238.7
[M+NH4]+ 584.45242 247.5
[M+K]+ 605.38176 244.0
[M+H-H2O]+ 549.41586 228.7
[M+HCOO]- 611.41680 253.8
[M+CH3COO]- 625.43245 250.5
[M+Na-2H]- 587.39327 226.4
[M]+ 566.41805 240.6
[M]- 566.41915 240.6
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

patents stripe