CID 99360

73972-49-3

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂NO

SMILES

CC(C)(CO)NCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H15Cl2NO/c1-11(2,7-15)14-6-8-3-4-9(12)10(13)5-8/h3-5,14-15H,6-7H2,1-2H3

InChIKey

IZGKPQZVDBIZCZ-UHFFFAOYSA-N

Compound name

2-[(3,4-dichlorophenyl)methylamino]-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 247.05307 Da
Monoisotopic Mass: 2.5
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]+	248.06035	153.4
[M+Na]+	270.04229	162.1
[M-H]-	246.04579	155.3
[M+NH4]+	265.08689	171.6
[M+K]+	286.01623	156.1
[M+H-H2O]+	230.05033	149.7
[M+HCOO]-	292.05127	165.8
[M+CH3COO]-	306.06692	192.7
[M+Na-2H]-	268.02774	158.2
[M]+	247.05252	156.1
[M]-	247.05362	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe