CID 212253

(2-benzoylethyl)(2-hydroxyethyl)dimethylammonium iodide acetate

Structural Information

Molecular Formula
C15H22NO3
SMILES
CC(=O)OCC[N+](C)(C)CCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H22NO3/c1-13(17)19-12-11-16(2,3)10-9-15(18)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3/q+1
InChIKey
NTENLANADVSBMV-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl-dimethyl-(3-oxo-3-phenylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15997 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16725 161.8
[M+Na]+ 287.14919 166.5
[M-H]- 263.15269 166.4
[M+NH4]+ 282.19379 178.6
[M+K]+ 303.12313 160.0
[M+H-H2O]+ 247.15723 157.8
[M+HCOO]- 309.15817 184.0
[M+CH3COO]- 323.17382 195.3
[M+Na-2H]- 285.13464 168.4
[M]+ 264.15942 164.3
[M]- 264.16052 164.3
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.