CID 42607464

Pe(17:1(9z)/0:0)

Structural Information

Molecular Formula
C22H44NO7P
SMILES
CCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C22H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h8-9,21,24H,2-7,10-20,23H2,1H3,(H,26,27)/b9-8-/t21-/m1/s1
InChIKey
LNJNONCNASQZOB-HEDKFQSOSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.28555 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.29283 214.7
[M+Na]+ 488.27477 219.1
[M-H]- 464.27827 209.1
[M+NH4]+ 483.31937 214.6
[M+K]+ 504.24871 213.3
[M+H-H2O]+ 448.28281 204.7
[M+HCOO]- 510.28375 221.7
[M+CH3COO]- 524.29940 233.4
[M+Na-2H]- 486.26022 199.7
[M]+ 465.28500 209.0
[M]- 465.28610 209.0
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.