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

294
Patents

237.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.4
[M+Na]+ 260.125708 161.6
[M-H]- 236.129214 157.9
[M+NH4]+ 255.170313 172.1
[M+K]+ 276.099648 160.5
[M+H-H2O]+ 220.133750 148.1
[M+HCOO]- 282.134691 176.9
[M+CH3COO]- 296.150341 198.2
[M+Na-2H]- 258.111156 155.1
[M]+ 237.13594142 157.5
[M]- 237.13703858 157.5
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