CID 12791451

2-amino-6-ethylphenol hydrochloride

Structural Information

Molecular Formula
C8H11NO
SMILES
CCC1=C(C(=CC=C1)N)O
InChI
InChI=1S/C8H11NO/c1-2-6-4-3-5-7(9)8(6)10/h3-5,10H,2,9H2,1H3
InChIKey
BJFWVHILGAJWAK-UHFFFAOYSA-N
Compound name
2-amino-6-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

137.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.0
[M+Na]+ 160.07328 135.5
[M-H]- 136.07678 129.5
[M+NH4]+ 155.11788 148.1
[M+K]+ 176.04722 133.0
[M+H-H2O]+ 120.08132 121.9
[M+HCOO]- 182.08226 151.0
[M+CH3COO]- 196.09791 174.1
[M+Na-2H]- 158.05873 133.1
[M]+ 137.08351 125.1
[M]- 137.08461 125.1
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