CID 56960317

Lysopa(0:0/16:0)

Structural Information

Molecular Formula
C19H39O7P
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)O
InChI
InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)26-18(16-20)17-25-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)
InChIKey
LPQBQFLKBCPNAV-UHFFFAOYSA-N
Compound name
(1-hydroxy-3-phosphonooxypropan-2-yl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

410.24335 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25063 202.0
[M+Na]+ 433.23257 204.5
[M-H]- 409.23607 194.5
[M+NH4]+ 428.27717 201.4
[M+K]+ 449.20651 199.3
[M+H-H2O]+ 393.24061 192.7
[M+HCOO]- 455.24155 210.5
[M+CH3COO]- 469.25720 219.0
[M+Na-2H]- 431.21802 187.7
[M]+ 410.24280 198.8
[M]- 410.24390 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.