CID 43794763

4-methoxy-n,n-dimethylcathinone

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C(=O)C1=CC=C(C=C1)OC)N(C)C
InChI
InChI=1S/C12H17NO2/c1-9(13(2)3)12(14)10-5-7-11(15-4)8-6-10/h5-9H,1-4H3
InChIKey
LODCRGDBFNUJIZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.8
[M+Na]+ 230.115148 152.9
[M-H]- 206.118654 151.8
[M+NH4]+ 225.159753 166.1
[M+K]+ 246.089088 153.1
[M+H-H2O]+ 190.123190 140.3
[M+HCOO]- 252.124131 170.6
[M+CH3COO]- 266.139781 194.8
[M+Na-2H]- 228.100596 149.8
[M]+ 207.12538142 149.7
[M]- 207.12647858 149.7
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

patents stripe