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]+ 209.164836 149.4
[M+Na]+ 231.146778 154.8
[M-H]- 207.150284 153.5
[M+NH4]+ 226.191383 168.2
[M+K]+ 247.120718 153.6
[M+H-H2O]+ 191.154820 142.2
[M+HCOO]- 253.155761 175.1
[M+CH3COO]- 267.171411 196.1
[M+Na-2H]- 229.132226 153.9
[M]+ 208.15701142 150.9
[M]- 208.15810858 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