CID 200478

3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CN(C)CCC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C11H15NO2/c1-12(2)8-7-11(14)9-3-5-10(13)6-4-9/h3-6,13H,7-8H2,1-2H3
InChIKey
PWLQUVMOVTVBEH-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

193.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.7
[M+Na]+ 216.09950 149.0
[M-H]- 192.10300 146.4
[M+NH4]+ 211.14410 161.9
[M+K]+ 232.07344 148.0
[M+H-H2O]+ 176.10754 136.5
[M+HCOO]- 238.10848 166.3
[M+CH3COO]- 252.12413 188.2
[M+Na-2H]- 214.08495 146.9
[M]+ 193.10973 143.9
[M]- 193.11083 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe