CID 212251

(2-hydroxyethyl)dimethylphenacylammonium bromide acetate

Structural Information

Molecular Formula
C14H20NO3
SMILES
CC(=O)OCC[N+](C)(C)CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H20NO3/c1-12(16)18-10-9-15(2,3)11-14(17)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3/q+1
InChIKey
STDXVRRLJRCJBH-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl-dimethyl-phenacylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14432 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15160 157.0
[M+Na]+ 273.13354 162.1
[M-H]- 249.13704 161.7
[M+NH4]+ 268.17814 174.3
[M+K]+ 289.10748 155.9
[M+H-H2O]+ 233.14158 153.2
[M+HCOO]- 295.14252 179.5
[M+CH3COO]- 309.15817 192.3
[M+Na-2H]- 271.11899 164.1
[M]+ 250.14377 159.1
[M]- 250.14487 159.1
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.