CID 20118748

2-(2-aminoethyl)-6-methoxyphenol

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC1=CC=CC(=C1O)CCN
InChI
InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-6-10)9(8)11/h2-4,11H,5-6,10H2,1H3
InChIKey
QKCSVOQSBJXICK-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.09464 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe