CID 16795974

1-(4-butoxy-3-methoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCCOC1=C(C=C(C=C1)C(C)N)OC
InChI
InChI=1S/C13H21NO2/c1-4-5-8-16-12-7-6-11(10(2)14)9-13(12)15-3/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKey
UOJAGGXLDNPFLV-UHFFFAOYSA-N
Compound name
1-(4-butoxy-3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 153.3
[M+Na]+ 246.146448 159.6
[M-H]- 222.149954 156.3
[M+NH4]+ 241.191053 171.5
[M+K]+ 262.120388 157.9
[M+H-H2O]+ 206.154490 146.7
[M+HCOO]- 268.155431 176.3
[M+CH3COO]- 282.171081 194.8
[M+Na-2H]- 244.131896 155.8
[M]+ 223.15668142 155.9
[M]- 223.15777858 155.9
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