CID 3040938

53103-51-8

Structural Information

Molecular Formula
C14H25NO4P
SMILES
CCC(C1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H24NO4P/c1-5-14(13-9-7-6-8-10-13)19-20(16,17)18-12-11-15(2,3)4/h6-10,14H,5,11-12H2,1-4H3/p+1
InChIKey
VJEBAFRDZSPKBD-UHFFFAOYSA-O
Compound name
2-[hydroxy(1-phenylpropoxy)phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15941 172.1
[M+Na]+ 325.14135 176.3
[M-H]- 301.14485 174.3
[M+NH4]+ 320.18595 187.3
[M+K]+ 341.11529 170.3
[M+H-H2O]+ 285.14939 166.2
[M+HCOO]- 347.15033 197.5
[M+CH3COO]- 361.16598 200.0
[M+Na-2H]- 323.12680 178.2
[M]+ 302.15158 176.0
[M]- 302.15268 176.0
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

No patent data available for this compound.