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]+ 196.133206 143.9
[M+Na]+ 218.115148 151.2
[M-H]- 194.118654 147.4
[M+NH4]+ 213.159753 163.3
[M+K]+ 234.089088 150.0
[M+H-H2O]+ 178.123190 137.8
[M+HCOO]- 240.124131 167.7
[M+CH3COO]- 254.139781 188.7
[M+Na-2H]- 216.100596 147.6
[M]+ 195.12538142 145.8
[M]- 195.12647858 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