CID 3040936

53103-50-7

Structural Information

Molecular Formula
C14H25NO4P
SMILES
CC1=CC=C(C=C1)C(C)OP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H24NO4P/c1-12-6-8-14(9-7-12)13(2)19-20(16,17)18-11-10-15(3,4)5/h6-9,13H,10-11H2,1-5H3/p+1
InChIKey
SUVRFRNCJCKPME-UHFFFAOYSA-O
Compound name
2-[hydroxy-[1-(4-methylphenyl)ethoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15213 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15941 171.1
[M+Na]+ 325.14135 176.3
[M-H]- 301.14485 173.7
[M+NH4]+ 320.18595 186.6
[M+K]+ 341.11529 170.3
[M+H-H2O]+ 285.14939 165.5
[M+HCOO]- 347.15033 196.5
[M+CH3COO]- 361.16598 201.1
[M+Na-2H]- 323.12680 176.6
[M]+ 302.15158 175.4
[M]- 302.15268 175.4
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.