CID 586679

2-amino-1-(3-methoxyphenyl)ethan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

104
Patents

167.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 135.5
[M+Na]+ 190.083858 142.3
[M-H]- 166.087364 137.5
[M+NH4]+ 185.128463 155.0
[M+K]+ 206.057798 140.6
[M+H-H2O]+ 150.091900 129.8
[M+HCOO]- 212.092841 158.5
[M+CH3COO]- 226.108491 178.9
[M+Na-2H]- 188.069306 140.5
[M]+ 167.09409142 134.4
[M]- 167.09518858 134.4
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