CID 3025572

Brn 3301933

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CN(C)C1=CC=CC=C1OCC(CO)O

InChI

InChI=1S/C11H17NO3/c1-12(2)10-5-3-4-6-11(10)15-8-9(14)7-13/h3-6,9,13-14H,7-8H2,1-2H3

InChIKey

XVHFBXXAWYWZBO-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)phenoxy]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.12085 Da
Monoisotopic Mass: 1.5
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]+	212.128126	147.6
[M+Na]+	234.110068	153.0
[M-H]-	210.113574	149.7
[M+NH4]+	229.154673	165.3
[M+K]+	250.084008	152.3
[M+H-H2O]+	194.118110	141.2
[M+HCOO]-	256.119051	169.7
[M+CH3COO]-	270.134701	188.6
[M+Na-2H]-	232.095516	151.2
[M]+	211.12030142	149.0
[M]-	211.12139858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe