CID 5314020

253678-66-9

Structural Information

Molecular Formula
C17H37NO7P
SMILES
CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C17H36NO7P/c1-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18(2,3)4/h16,19H,5-15H2,1-4H3/p+1/t16-/m1/s1
InChIKey
VKTRCGYRHHVHRW-MRXNPFEDSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-nonanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

398.23077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.23805 200.5
[M+Na]+ 421.21999 205.0
[M-H]- 397.22349 199.5
[M+NH4]+ 416.26459 204.3
[M+K]+ 437.19393 197.7
[M+H-H2O]+ 381.22803 186.6
[M+HCOO]- 443.22897 215.1
[M+CH3COO]- 457.24462 215.8
[M+Na-2H]- 419.20544 188.3
[M]+ 398.23022 197.6
[M]- 398.23132 197.6
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