CID 66874030

1014711-93-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

CN(C)C1=NC2=C(C=CC=C2O1)C(=O)O

InChI

InChI=1S/C10H10N2O3/c1-12(2)10-11-8-6(9(13)14)4-3-5-7(8)15-10/h3-5H,1-2H3,(H,13,14)

InChIKey

OSVJUVPAHAAHOV-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1,3-benzoxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 206.06914 Da
Monoisotopic Mass: 1.7
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]+	207.07642	141.0
[M+Na]+	229.05836	151.0
[M-H]-	205.06186	146.1
[M+NH4]+	224.10296	160.2
[M+K]+	245.03230	150.8
[M+H-H2O]+	189.06640	134.7
[M+HCOO]-	251.06734	165.0
[M+CH3COO]-	265.08299	188.4
[M+Na-2H]-	227.04381	147.8
[M]+	206.06859	145.8
[M]-	206.06969	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe