CID 5314006

1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C30H63NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C30H62NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h29,32H,5-28H2,1-4H3/p+1/t29-/m1/s1
InChIKey
UIINDYGXBHJQHX-GDLZYMKVSA-O
Compound name
2-[[(2R)-3-docosanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

206
Patents

580.4342 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.44148 248.8
[M+Na]+ 603.42342 252.3
[M+NH4]+ 598.46802 221.1
[M+K]+ 619.39736 257.7
[M-H]- 579.42692 243.1
[M+Na-2H]- 601.40887 239.7
[M]+ 580.43365 249.1
[M]- 580.43475 249.1
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.