CID 52929582

Pa(o-18:0/12:0)

Structural Information

Molecular Formula
C33H67O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C33H67O7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-38-30-32(31-39-41(35,36)37)40-33(34)28-26-24-22-20-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H2,35,36,37)/t32-/m1/s1
InChIKey
DROPZFYLKZBLFH-JGCGQSQUSA-N
Compound name
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.46246 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.46974 253.5
[M+Na]+ 629.45168 254.4
[M-H]- 605.45518 241.0
[M+NH4]+ 624.49628 254.7
[M+K]+ 645.42562 255.0
[M+H-H2O]+ 589.45972 243.6
[M+HCOO]- 651.46066 258.0
[M+CH3COO]- 665.47631 261.2
[M+Na-2H]- 627.43713 233.6
[M]+ 606.46191 251.2
[M]- 606.46301 251.2
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.