CID 211864

23694-21-5

Structural Information

Molecular Formula
C13H19NO3
SMILES
CN(C)CCC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C13H19NO3/c1-14(2)8-7-11(15)10-5-6-12(16-3)13(9-10)17-4/h5-6,9H,7-8H2,1-4H3
InChIKey
HSSNCUJHRGPSFH-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

237.13649 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe