CID 44350137

1-(4-ethoxy-3,5-dimethoxyphenyl)propan-2-amine

Structural Information

Molecular Formula
C13H21NO3
SMILES
CCOC1=C(C=C(C=C1OC)CC(C)N)OC
InChI
InChI=1S/C13H21NO3/c1-5-17-13-11(15-3)7-10(6-9(2)14)8-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey
AHLXCGRWNKUNTQ-UHFFFAOYSA-N
Compound name
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

109
Patents

239.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 155.8
[M+Na]+ 262.14137 163.0
[M-H]- 238.14487 159.2
[M+NH4]+ 257.18597 173.6
[M+K]+ 278.11531 161.9
[M+H-H2O]+ 222.14941 149.2
[M+HCOO]- 284.15035 179.0
[M+CH3COO]- 298.16600 198.1
[M+Na-2H]- 260.12682 157.7
[M]+ 239.15160 160.2
[M]- 239.15270 160.2
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