CID 9546715

Pc(o-5:0/0:0)[r]

Structural Information

Molecular Formula
C13H31NO6P
SMILES
CCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C13H30NO6P/c1-5-6-7-9-18-11-13(15)12-20-21(16,17)19-10-8-14(2,3)4/h13,15H,5-12H2,1-4H3/p+1/t13-/m1/s1
InChIKey
FBCWZRYNKHOPFU-CYBMUJFWSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-pentoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

328.1889 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19618 186.3
[M+Na]+ 351.17812 191.1
[M-H]- 327.18162 184.0
[M+NH4]+ 346.22272 187.7
[M+K]+ 367.15206 177.6
[M+H-H2O]+ 311.18616 174.7
[M+HCOO]- 373.18710 204.2
[M+CH3COO]- 387.20275 203.0
[M+Na-2H]- 349.16357 184.3
[M]+ 328.18835 184.0
[M]- 328.18945 184.0
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