CID 6486613

(3-ethoxy-4-methoxyphenyl)methanamine

Structural Information

Molecular Formula
C10H15NO2
SMILES
CCOC1=C(C=CC(=C1)CN)OC
InChI
InChI=1S/C10H15NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3,7,11H2,1-2H3
InChIKey
SEMVGKZMRJJWLJ-UHFFFAOYSA-N
Compound name
(3-ethoxy-4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

181.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 138.7
[M+Na]+ 204.09950 146.7
[M-H]- 180.10300 142.3
[M+NH4]+ 199.14410 158.7
[M+K]+ 220.07344 145.2
[M+H-H2O]+ 164.10754 132.7
[M+HCOO]- 226.10848 163.9
[M+CH3COO]- 240.12413 184.8
[M+Na-2H]- 202.08495 144.2
[M]+ 181.10973 140.9
[M]- 181.11083 140.9
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