CID 21512171

4-amino-3-ethoxyphenol hydrochloride

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCOC1=C(C=CC(=C1)O)N
InChI
InChI=1S/C8H11NO2/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5,10H,2,9H2,1H3
InChIKey
CONGTKLIGJRDNT-UHFFFAOYSA-N
Compound name
4-amino-3-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 130.1
[M+Na]+ 176.068198 138.5
[M-H]- 152.071704 132.5
[M+NH4]+ 171.112803 150.5
[M+K]+ 192.042138 136.5
[M+H-H2O]+ 136.076240 124.7
[M+HCOO]- 198.077181 154.3
[M+CH3COO]- 212.092831 176.2
[M+Na-2H]- 174.053646 136.1
[M]+ 153.07843142 129.6
[M]- 153.07952858 129.6
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