CID 211811

2-methoxy-2-(3-methoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H15NO2
SMILES
COC1=CC=CC(=C1)C(CN)OC
InChI
InChI=1S/C10H15NO2/c1-12-9-5-3-4-8(6-9)10(7-11)13-2/h3-6,10H,7,11H2,1-2H3
InChIKey
FPWLTKFZPJGKSX-UHFFFAOYSA-N
Compound name
2-methoxy-2-(3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

181.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.117556 139.7
[M+Na]+ 204.099498 146.4
[M-H]- 180.103004 142.9
[M+NH4]+ 199.144103 159.3
[M+K]+ 220.073438 145.4
[M+H-H2O]+ 164.107540 133.5
[M+HCOO]- 226.108481 163.8
[M+CH3COO]- 240.124131 184.5
[M+Na-2H]- 202.084946 144.6
[M]+ 181.10973142 140.8
[M]- 181.11082858 140.8
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