CID 54593702

[2-(4-methoxyphenyl)ethyl](3-methoxypropyl)amine

Structural Information

Molecular Formula
C13H21NO2
SMILES
COCCCNCCC1=CC=C(C=C1)OC
InChI
InChI=1S/C13H21NO2/c1-15-11-3-9-14-10-8-12-4-6-13(16-2)7-5-12/h4-7,14H,3,8-11H2,1-2H3
InChIKey
RAGCLSQXQBQFRG-UHFFFAOYSA-N
Compound name
3-methoxy-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 152.3
[M+Na]+ 246.14645 158.0
[M-H]- 222.14995 155.4
[M+NH4]+ 241.19105 170.5
[M+K]+ 262.12039 156.1
[M+H-H2O]+ 206.15449 145.4
[M+HCOO]- 268.15543 177.1
[M+CH3COO]- 282.17108 193.4
[M+Na-2H]- 244.13190 158.0
[M]+ 223.15668 156.2
[M]- 223.15778 156.2
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

No patent data available for this compound.