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
4
Annotation Hits

15
References

1292
Patents

167.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.6
[M+Na]+ 190.08386 146.3
[M+NH4]+ 185.12846 142.7
[M+K]+ 206.05780 140.6
[M-H]- 166.08736 136.6
[M+Na-2H]- 188.06931 140.6
[M]+ 167.09409 136.7
[M]- 167.09519 136.7
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