CID 14947683

36778-79-7

Structural Information

Molecular Formula

C₄H₁₀ClNO₂

SMILES

C(C(CO)(CCl)N)O

InChI

InChI=1S/C4H10ClNO2/c5-1-4(6,2-7)3-8/h7-8H,1-3,6H2

InChIKey

LVDBGVORNUCUHJ-UHFFFAOYSA-N

Compound name

2-amino-2-(chloromethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 139.04001 Da
Monoisotopic Mass: -1.6
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]+	140.04729	127.0
[M+Na]+	162.02923	134.4
[M-H]-	138.03273	124.3
[M+NH4]+	157.07383	147.7
[M+K]+	178.00317	131.5
[M+H-H2O]+	122.03727	124.3
[M+HCOO]-	184.03821	143.2
[M+CH3COO]-	198.05386	168.2
[M+Na-2H]-	160.01468	133.3
[M]+	139.03946	125.9
[M]-	139.04056	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe