CID 14618925

130566-34-6

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

CC(C)OC1=C(C=CC=C1Cl)N

InChI

InChI=1S/C9H12ClNO/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6H,11H2,1-2H3

InChIKey

HNQIVPPPVHBJIE-UHFFFAOYSA-N

Compound name

3-chloro-2-propan-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.06075 Da
Monoisotopic Mass: 2.6
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]+	186.068026	137.7
[M+Na]+	208.049968	146.7
[M-H]-	184.053474	141.3
[M+NH4]+	203.094573	158.4
[M+K]+	224.023908	143.3
[M+H-H2O]+	168.058010	133.1
[M+HCOO]-	230.058951	157.4
[M+CH3COO]-	244.074601	184.4
[M+Na-2H]-	206.035416	142.0
[M]+	185.06020142	139.5
[M]-	185.06129858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe