CID 30271

Acetophenone, 6'-(2-(dimethylamino)ethoxy)-4'-methoxy-, hydrochloride

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(=O)C1=C(C=C(C=C1)OC)OCCN(C)C
InChI
InChI=1S/C13H19NO3/c1-10(15)12-6-5-11(16-4)9-13(12)17-8-7-14(2)3/h5-6,9H,7-8H2,1-4H3
InChIKey
RCONAZHMVQHWCA-UHFFFAOYSA-N
Compound name
1-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 153.8
[M+Na]+ 260.12571 160.5
[M-H]- 236.12921 158.9
[M+NH4]+ 255.17031 172.2
[M+K]+ 276.09965 160.6
[M+H-H2O]+ 220.13375 146.9
[M+HCOO]- 282.13469 178.5
[M+CH3COO]- 296.15034 200.1
[M+Na-2H]- 258.11116 156.8
[M]+ 237.13594 159.5
[M]- 237.13704 159.5
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.