CID 721134

2-amino-4-tert-butyl-6-chlorophenol

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

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

InChI

InChI=1S/C10H14ClNO/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,12H2,1-3H3

InChIKey

PTWRZJLGVPYQLE-UHFFFAOYSA-N

Compound name

2-amino-4-tert-butyl-6-chlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.07639 Da
Monoisotopic Mass: 3.2
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]+	200.083666	142.8
[M+Na]+	222.065608	152.6
[M-H]-	198.069114	145.5
[M+NH4]+	217.110213	162.8
[M+K]+	238.039548	148.2
[M+H-H2O]+	182.073650	139.1
[M+HCOO]-	244.074591	160.0
[M+CH3COO]-	258.090241	185.0
[M+Na-2H]-	220.051056	147.3
[M]+	199.07584142	143.5
[M]-	199.07693858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe