CID 52929565

Pa(o-16:0/12:0)

Structural Information

Molecular Formula
C31H63O7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C31H63O7P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-36-28-30(29-37-39(33,34)35)38-31(32)26-24-22-20-18-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H2,33,34,35)/t30-/m1/s1
InChIKey
XKILFGZWURXBMZ-SSEXGKCCSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.43115 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.43843 246.6
[M+Na]+ 601.42037 247.8
[M-H]- 577.42387 234.8
[M+NH4]+ 596.46497 247.8
[M+K]+ 617.39431 247.6
[M+H-H2O]+ 561.42841 236.9
[M+HCOO]- 623.42935 251.8
[M+CH3COO]- 637.44500 255.7
[M+Na-2H]- 599.40582 227.5
[M]+ 578.43060 244.2
[M]- 578.43170 244.2
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.