CID 3247016

Pa(13:0/0:0)

Structural Information

Molecular Formula
C16H33O7P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C16H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)22-13-15(17)14-23-24(19,20)21/h15,17H,2-14H2,1H3,(H2,19,20,21)/t15-/m1/s1
InChIKey
XUCWFZYFDPBQGZ-OAHLLOKOSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.19638 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20366 194.8
[M+Na]+ 391.18560 193.8
[M-H]- 367.18910 184.5
[M+NH4]+ 386.23020 190.3
[M+K]+ 407.15954 194.4
[M+H-H2O]+ 351.19364 186.2
[M+HCOO]- 413.19458 200.5
[M+CH3COO]- 427.21023 210.2
[M+Na-2H]- 389.17105 190.8
[M]+ 368.19583 187.8
[M]- 368.19693 187.8
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

patents stripe