CID 721885

2-amino-4-ethylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

137.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.0
[M+Na]+ 160.073278 135.5
[M-H]- 136.076784 129.5
[M+NH4]+ 155.117883 148.1
[M+K]+ 176.047218 133.0
[M+H-H2O]+ 120.081320 121.9
[M+HCOO]- 182.082261 151.0
[M+CH3COO]- 196.097911 174.1
[M+Na-2H]- 158.058726 133.1
[M]+ 137.08351142 125.1
[M]- 137.08460858 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

literature stripe

Patent stripe

patents stripe