CID 23983771

1-(4-acetyl-2,5-dimethoxyphenyl)-2-aminopropane

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(CC1=CC(=C(C=C1OC)C(=O)C)OC)N
InChI
InChI=1S/C13H19NO3/c1-8(14)5-10-6-13(17-4)11(9(2)15)7-12(10)16-3/h6-8H,5,14H2,1-4H3
InChIKey
NWWLLPGDGZOZAT-UHFFFAOYSA-N
Compound name
1-[4-(2-aminopropyl)-2,5-dimethoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.6
[M+Na]+ 260.12571 165.3
[M+NH4]+ 255.17031 161.3
[M+K]+ 276.09965 160.6
[M-H]- 236.12921 155.9
[M+Na-2H]- 258.11116 158.7
[M]+ 237.13594 156.3
[M]- 237.13704 156.3
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.