CID 9801940

Cpa(16:0/0:0)

Structural Information

Molecular Formula
C19H37O6P
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1COP(=O)(O1)O
InChI
InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)23-16-18-17-24-26(21,22)25-18/h18H,2-17H2,1H3,(H,21,22)
InChIKey
WLYRJURLXSFXRK-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl)methyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

392.2328 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.24008 202.4
[M+Na]+ 415.22202 204.0
[M-H]- 391.22552 202.3
[M+NH4]+ 410.26662 214.5
[M+K]+ 431.19596 203.7
[M+H-H2O]+ 375.23006 194.1
[M+HCOO]- 437.23100 223.6
[M+CH3COO]- 451.24665 218.1
[M+Na-2H]- 413.20747 199.1
[M]+ 392.23225 211.5
[M]- 392.23335 211.5
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