CID 11252531

73096-98-7

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(=O)C1=CC(=C(C=C1)O)CN(C)C
InChI
InChI=1S/C11H15NO2/c1-8(13)9-4-5-11(14)10(6-9)7-12(2)3/h4-6,14H,7H2,1-3H3
InChIKey
WAENDPRPZPEBQR-UHFFFAOYSA-N
Compound name
1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.9
[M+Na]+ 216.09950 149.2
[M-H]- 192.10300 146.0
[M+NH4]+ 211.14410 161.5
[M+K]+ 232.07344 148.3
[M+H-H2O]+ 176.10754 136.0
[M+HCOO]- 238.10848 165.5
[M+CH3COO]- 252.12413 189.4
[M+Na-2H]- 214.08495 145.5
[M]+ 193.10973 143.5
[M]- 193.11083 143.5
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

No patent data available for this compound.