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

17
Patents

237.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 157.3
[M+Na]+ 260.16210 163.2
[M-H]- 236.16560 160.7
[M+NH4]+ 255.20670 175.2
[M+K]+ 276.13604 161.6
[M+H-H2O]+ 220.17014 150.5
[M+HCOO]- 282.17108 180.7
[M+CH3COO]- 296.18673 198.5
[M+Na-2H]- 258.14755 160.4
[M]+ 237.17233 161.3
[M]- 237.17343 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