CID 22676

6279-52-3

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CN(C)CC1=C(C=CC(=C1)C(=O)OC)O

InChI

InChI=1S/C11H15NO3/c1-12(2)7-9-6-8(11(14)15-3)4-5-10(9)13/h4-6,13H,7H2,1-3H3

InChIKey

NVJULERDNIHRBR-UHFFFAOYSA-N

Compound name

methyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 209.1052 Da
Monoisotopic Mass: 1.3
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]+	210.11248	145.9
[M+Na]+	232.09442	156.9
[M+NH4]+	227.13902	153.0
[M+K]+	248.06836	152.2
[M-H]-	208.09792	147.4
[M+Na-2H]-	230.07987	151.2
[M]+	209.10465	147.6
[M]-	209.10575	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe