CID 3040940

53103-52-9

Structural Information

Molecular Formula
C15H27NO4P
SMILES
CCC(C1=CC=CC=C1)OP(=O)(O)OCCC[N+](C)(C)C
InChI
InChI=1S/C15H26NO4P/c1-5-15(14-10-7-6-8-11-14)20-21(17,18)19-13-9-12-16(2,3)4/h6-8,10-11,15H,5,9,12-13H2,1-4H3/p+1
InChIKey
RWNVGCDSHRAMBZ-UHFFFAOYSA-O
Compound name
3-[hydroxy(1-phenylpropoxy)phosphoryl]oxypropyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17504 177.0
[M+Na]+ 339.15698 180.8
[M-H]- 315.16048 179.0
[M+NH4]+ 334.20158 191.6
[M+K]+ 355.13092 174.5
[M+H-H2O]+ 299.16502 170.9
[M+HCOO]- 361.16596 202.1
[M+CH3COO]- 375.18161 203.0
[M+Na-2H]- 337.14243 182.5
[M]+ 316.16721 181.2
[M]- 316.16831 181.2
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.