CID 111636

4-amino-6-ethoxy-o-cresol hydrochloride

Structural Information

Molecular Formula
C9H13NO2
SMILES
CCOC1=C(C(=CC(=C1)N)C)O
InChI
InChI=1S/C9H13NO2/c1-3-12-8-5-7(10)4-6(2)9(8)11/h4-5,11H,3,10H2,1-2H3
InChIKey
JANNGSPAQYJDAH-UHFFFAOYSA-N
Compound name
4-amino-2-ethoxy-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 134.4
[M+Na]+ 190.083858 143.3
[M-H]- 166.087364 137.1
[M+NH4]+ 185.128463 154.6
[M+K]+ 206.057798 141.2
[M+H-H2O]+ 150.091900 129.1
[M+HCOO]- 212.092841 158.3
[M+CH3COO]- 226.108491 180.5
[M+Na-2H]- 188.069306 139.2
[M]+ 167.09409142 134.7
[M]- 167.09518858 134.7
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