CID 3048394

3-(4-amino-2-methylphenoxy)propane-1,2-diol

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC1=C(C=CC(=C1)N)OCC(CO)O

InChI

InChI=1S/C10H15NO3/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,12-13H,5-6,11H2,1H3

InChIKey

WFLFOFDFIHOEFA-UHFFFAOYSA-N

Compound name

3-(4-amino-2-methylphenoxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.112476	143.3
[M+Na]+	220.094418	150.0
[M-H]-	196.097924	144.0
[M+NH4]+	215.139023	161.0
[M+K]+	236.068358	147.7
[M+H-H2O]+	180.102460	137.5
[M+HCOO]-	242.103401	164.5
[M+CH3COO]-	256.119051	182.9
[M+Na-2H]-	218.079866	146.4
[M]+	197.10465142	142.4
[M]-	197.10574858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.