CID 201455

6018-21-9

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-6(2)14-10(13)8-4-3-7(11)5-9(8)12/h3-6,12H,11H2,1-2H3

InChIKey

YBUHABZMSNVUKQ-UHFFFAOYSA-N

Compound name

propan-2-yl 4-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 12
Patents: 195.08954 Da
Monoisotopic Mass: 2.4
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	141.9
[M+Na]+	218.078758	149.2
[M-H]-	194.082264	144.3
[M+NH4]+	213.123363	160.4
[M+K]+	234.052698	147.8
[M+H-H2O]+	178.086800	136.2
[M+HCOO]-	240.087741	163.9
[M+CH3COO]-	254.103391	184.7
[M+Na-2H]-	216.064206	144.4
[M]+	195.08899142	141.6
[M]-	195.09008858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe