CID 17764518

[2-(3,4-diethoxyphenyl)ethyl](methyl)amine

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCOC1=C(C=C(C=C1)CCNC)OCC
InChI
InChI=1S/C13H21NO2/c1-4-15-12-7-6-11(8-9-14-3)10-13(12)16-5-2/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKey
GIGVGCGULYWMRH-UHFFFAOYSA-N
Compound name
2-(3,4-diethoxyphenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

223.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.1
[M+Na]+ 246.146448 158.7
[M-H]- 222.149954 155.6
[M+NH4]+ 241.191053 170.6
[M+K]+ 262.120388 156.8
[M+H-H2O]+ 206.154490 145.4
[M+HCOO]- 268.155431 176.8
[M+CH3COO]- 282.171081 194.6
[M+Na-2H]- 244.131896 157.0
[M]+ 223.15668142 156.4
[M]- 223.15777858 156.4
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