CID 98483

35695-72-8

Structural Information

Molecular Formula

C₅H₁₀Cl₃NO

SMILES

CCC(C(C(Cl)(Cl)Cl)O)N

InChI

InChI=1S/C5H10Cl3NO/c1-2-3(9)4(10)5(6,7)8/h3-4,10H,2,9H2,1H3

InChIKey

OOPHKDFPMLXMPI-UHFFFAOYSA-N

Compound name

3-amino-1,1,1-trichloropentan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.9828 Da
Monoisotopic Mass: 1.5
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]+	205.99008	139.4
[M+Na]+	227.97202	146.8
[M-H]-	203.97552	136.7
[M+NH4]+	223.01662	158.4
[M+K]+	243.94596	142.1
[M+H-H2O]+	187.98006	138.2
[M+HCOO]-	249.98100	144.4
[M+CH3COO]-	263.99665	183.4
[M+Na-2H]-	225.95747	141.5
[M]+	204.98225	138.8
[M]-	204.98335	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.