CID 1748

5-(2-aminoethyl)-2-methoxyphenol

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC1=C(C=C(C=C1)CCN)O
InChI
InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKey
WJXQFVMTIGJBFX-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1607
Patents

167.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 134.7
[M+Na]+ 190.083858 142.6
[M-H]- 166.087364 137.0
[M+NH4]+ 185.128463 154.5
[M+K]+ 206.057798 140.5
[M+H-H2O]+ 150.091900 129.1
[M+HCOO]- 212.092841 158.6
[M+CH3COO]- 226.108491 179.2
[M+Na-2H]- 188.069306 140.2
[M]+ 167.09409142 134.6
[M]- 167.09518858 134.6
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