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

3
Patents

167.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.4
[M+Na]+ 190.08386 143.3
[M-H]- 166.08736 137.1
[M+NH4]+ 185.12846 154.6
[M+K]+ 206.05780 141.2
[M+H-H2O]+ 150.09190 129.1
[M+HCOO]- 212.09284 158.3
[M+CH3COO]- 226.10849 180.5
[M+Na-2H]- 188.06931 139.2
[M]+ 167.09409 134.7
[M]- 167.09519 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