CID 71350247

3,5-bis(dimethylamino)phenol

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CN(C)C1=CC(=CC(=C1)O)N(C)C

InChI

InChI=1S/C10H16N2O/c1-11(2)8-5-9(12(3)4)7-10(13)6-8/h5-7,13H,1-4H3

InChIKey

VTBZONHGHSXYCH-UHFFFAOYSA-N

Compound name

3,5-bis(dimethylamino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 180.12627 Da
Monoisotopic Mass: 1.8
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]+	181.13355	140.2
[M+Na]+	203.11549	151.5
[M+NH4]+	198.16009	148.8
[M+K]+	219.08943	146.2
[M-H]-	179.11899	143.8
[M+Na-2H]-	201.10094	147.0
[M]+	180.12572	142.7
[M]-	180.12682	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe