CID 22216742

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

167.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.5
[M+Na]+ 190.08386 142.3
[M-H]- 166.08736 137.5
[M+NH4]+ 185.12846 155.0
[M+K]+ 206.05780 140.6
[M+H-H2O]+ 150.09190 129.8
[M+HCOO]- 212.09284 158.5
[M+CH3COO]- 226.10849 178.9
[M+Na-2H]- 188.06931 140.5
[M]+ 167.09409 134.4
[M]- 167.09519 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