CID 448910

Pa(16:0/14:0)

Structural Information

Molecular Formula
C33H65O8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C33H65O8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(34)39-29-31(30-40-42(36,37)38)41-33(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3,(H2,36,37,38)/t31-/m1/s1
InChIKey
GLOXZZHEZYKXNV-WJOKGBTCSA-N
Compound name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

620.4417 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.44898 254.6
[M+Na]+ 643.43092 256.1
[M-H]- 619.43442 245.0
[M+NH4]+ 638.47552 258.5
[M+K]+ 659.40486 256.6
[M+H-H2O]+ 603.43896 245.5
[M+HCOO]- 665.43990 257.4
[M+CH3COO]- 679.45555 262.3
[M+Na-2H]- 641.41637 235.4
[M]+ 620.44115 252.8
[M]- 620.44225 252.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe