CID 161861

N,n-dimethyl-3-methoxytyraminium

Structural Information

Molecular Formula
C11H17NO2
SMILES
CN(C)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C11H17NO2/c1-12(2)7-6-9-4-5-10(13)11(8-9)14-3/h4-5,8,13H,6-7H2,1-3H3
InChIKey
SQKKYSLRUHVTFX-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

195.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.3
[M+Na]+ 218.11515 150.5
[M-H]- 194.11865 147.2
[M+NH4]+ 213.15975 162.9
[M+K]+ 234.08909 149.7
[M+H-H2O]+ 178.12319 137.1
[M+HCOO]- 240.12413 167.7
[M+CH3COO]- 254.13978 189.4
[M+Na-2H]- 216.10060 148.0
[M]+ 195.12538 146.2
[M]- 195.12648 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe