CID 19778986

Tert-butyl 4-amino-3-hydroxybenzoate

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

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

InChI

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

InChIKey

SBFQWHNQHIREJK-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-3-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 209.1052 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]+	210.11248	146.1
[M+Na]+	232.09442	153.7
[M-H]-	208.09792	148.6
[M+NH4]+	227.13902	164.3
[M+K]+	248.06836	152.1
[M+H-H2O]+	192.10246	140.9
[M+HCOO]-	254.10340	167.3
[M+CH3COO]-	268.11905	186.5
[M+Na-2H]-	230.07987	150.2
[M]+	209.10465	146.2
[M]-	209.10575	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe