CID 3994297

1-(4-ethoxy-3-methoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCOC1=C(C=C(C=C1)C(C)N)OC
InChI
InChI=1S/C11H17NO2/c1-4-14-10-6-5-9(8(2)12)7-11(10)13-3/h5-8H,4,12H2,1-3H3
InChIKey
VINGCSGMSKZRIG-UHFFFAOYSA-N
Compound name
1-(4-ethoxy-3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

195.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.9
[M+Na]+ 218.11515 151.2
[M-H]- 194.11865 147.4
[M+NH4]+ 213.15975 163.3
[M+K]+ 234.08909 150.0
[M+H-H2O]+ 178.12319 137.8
[M+HCOO]- 240.12413 167.7
[M+CH3COO]- 254.13978 188.7
[M+Na-2H]- 216.10060 147.6
[M]+ 195.12538 145.8
[M]- 195.12648 145.8
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