CID 28338639

Dimethyl(2-{3-[(methylamino)methyl]phenoxy}ethyl)amine

Structural Information

Molecular Formula
C12H20N2O
SMILES
CNCC1=CC(=CC=C1)OCCN(C)C
InChI
InChI=1S/C12H20N2O/c1-13-10-11-5-4-6-12(9-11)15-8-7-14(2)3/h4-6,9,13H,7-8,10H2,1-3H3
InChIKey
IRNGMQPGWPHNFO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 149.1
[M+Na]+ 231.14678 160.0
[M+NH4]+ 226.19138 157.5
[M+K]+ 247.12072 153.2
[M-H]- 207.15028 152.7
[M+Na-2H]- 229.13223 156.0
[M]+ 208.15701 151.6
[M]- 208.15811 151.6
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

No patent data available for this compound.