CID 9546683

Pc(0:0/5:0)

Structural Information

Molecular Formula
C13H29NO7P
SMILES
CCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C13H28NO7P/c1-5-6-7-13(16)21-12(10-15)11-20-22(17,18)19-9-8-14(2,3)4/h12,15H,5-11H2,1-4H3/p+1/t12-/m1/s1
InChIKey
FUNVSMBQMVEBQX-GFCCVEGCSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.16815 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17543 185.2
[M+Na]+ 365.15737 190.5
[M-H]- 341.16087 185.8
[M+NH4]+ 360.20197 189.2
[M+K]+ 381.13131 181.6
[M+H-H2O]+ 325.16541 172.0
[M+HCOO]- 387.16635 201.5
[M+CH3COO]- 401.18200 204.0
[M+Na-2H]- 363.14282 175.1
[M]+ 342.16760 182.9
[M]- 342.16870 182.9
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