CID 146049146

2411229-52-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC1=C(C=C(C=C1)OCCN)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-7-2-3-8(14-5-4-11)6-9(7)10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13)

InChIKey

VXJCYSAMNOLBLO-UHFFFAOYSA-N

Compound name

5-(2-aminoethoxy)-2-methylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.08954 Da
Monoisotopic Mass: -1.4
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	141.4
[M+Na]+	218.078758	148.8
[M-H]-	194.082264	143.6
[M+NH4]+	213.123363	159.8
[M+K]+	234.052698	146.9
[M+H-H2O]+	178.086800	135.5
[M+HCOO]-	240.087741	164.4
[M+CH3COO]-	254.103391	184.5
[M+Na-2H]-	216.064206	145.1
[M]+	195.08899142	141.8
[M]-	195.09008858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.