CID 16774684

2-{4-[2-(dimethylamino)ethoxy]phenyl}ethan-1-amine

Structural Information

Molecular Formula
C12H20N2O
SMILES
CN(C)CCOC1=CC=C(C=C1)CCN
InChI
InChI=1S/C12H20N2O/c1-14(2)9-10-15-12-5-3-11(4-6-12)7-8-13/h3-6H,7-10,13H2,1-2H3
InChIKey
DWBYXARWRLJDFK-UHFFFAOYSA-N
Compound name
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 149.4
[M+Na]+ 231.14678 154.8
[M-H]- 207.15028 153.5
[M+NH4]+ 226.19138 168.2
[M+K]+ 247.12072 153.6
[M+H-H2O]+ 191.15482 142.2
[M+HCOO]- 253.15576 175.1
[M+CH3COO]- 267.17141 196.1
[M+Na-2H]- 229.13223 153.9
[M]+ 208.15701 150.9
[M]- 208.15811 150.9
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