CID 12411009

[2-(3,4-dimethoxyphenyl)ethyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC(C)CNCCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C14H23NO2/c1-11(2)10-15-8-7-12-5-6-13(16-3)14(9-12)17-4/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKey
RKPHYIIQNBDAMO-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

237.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 157.3
[M+Na]+ 260.162098 163.2
[M-H]- 236.165604 160.7
[M+NH4]+ 255.206703 175.2
[M+K]+ 276.136038 161.6
[M+H-H2O]+ 220.170140 150.5
[M+HCOO]- 282.171081 180.7
[M+CH3COO]- 296.186731 198.5
[M+Na-2H]- 258.147546 160.4
[M]+ 237.17233142 161.3
[M]- 237.17342858 161.3
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