CID 46253

Alpha-(1-aminoethyl)-4-methoxybenzyl alcohol hydrochloride

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC(C(C1=CC=C(C=C1)OC)O)N
InChI
InChI=1S/C10H15NO2/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10,12H,11H2,1-2H3
InChIKey
OAUQWSYUJGFNKY-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

181.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.6
[M+Na]+ 204.09950 146.7
[M-H]- 180.10300 142.5
[M+NH4]+ 199.14410 159.4
[M+K]+ 220.07344 145.3
[M+H-H2O]+ 164.10754 134.8
[M+HCOO]- 226.10848 162.2
[M+CH3COO]- 240.12413 182.9
[M+Na-2H]- 202.08495 143.7
[M]+ 181.10973 139.2
[M]- 181.11083 139.2
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