CID 69399688

Methyl 2-(dimethylamino)-5-hydroxybenzoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-11(2)9-5-4-7(12)6-8(9)10(13)14-3/h4-6,12H,1-3H3

InChIKey

HVDVLCHEGOGFCP-UHFFFAOYSA-N

Compound name

methyl 2-(dimethylamino)-5-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.08954 Da
Monoisotopic Mass: 2.6
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]+	196.096816	140.5
[M+Na]+	218.078758	148.2
[M-H]-	194.082264	144.8
[M+NH4]+	213.123363	160.0
[M+K]+	234.052698	148.0
[M+H-H2O]+	178.086800	134.5
[M+HCOO]-	240.087741	164.7
[M+CH3COO]-	254.103391	187.8
[M+Na-2H]-	216.064206	144.6
[M]+	195.08899142	143.1
[M]-	195.09008858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe