CID 5313794

66414-34-4

Structural Information

Molecular Formula
C18H37NO8P
SMILES
CCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC
InChI
InChI=1S/C18H36NO8P/c1-6-8-10-17(20)24-14-16(27-18(21)11-9-7-2)15-26-28(22,23)25-13-12-19(3,4)5/h16H,6-15H2,1-5H3/p+1/t16-/m1/s1
InChIKey
YCBVRDMSFWAKDH-MRXNPFEDSA-O
Compound name
2-[[(2R)-2,3-di(pentanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

282
Patents

426.22568 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23296 205.3
[M+Na]+ 449.21490 211.2
[M-H]- 425.21840 207.4
[M+NH4]+ 444.25950 214.0
[M+K]+ 465.18884 204.3
[M+H-H2O]+ 409.22294 193.3
[M+HCOO]- 471.22388 219.5
[M+CH3COO]- 485.23953 222.2
[M+Na-2H]- 447.20035 194.3
[M]+ 426.22513 204.0
[M]- 426.22623 204.0
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

patents stripe