CID 10920999

40722-80-3

Structural Information

Molecular Formula

C₅H₁₂ClNO

SMILES

C(CNCCCl)CO

InChI

InChI=1S/C5H12ClNO/c6-2-4-7-3-1-5-8/h7-8H,1-5H2

InChIKey

MIGSCUPQHOWPHZ-UHFFFAOYSA-N

Compound name

3-(2-chloroethylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 137.06075 Da
Monoisotopic Mass: 0.1
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]+	138.06803	127.7
[M+Na]+	160.04997	134.7
[M-H]-	136.05347	126.4
[M+NH4]+	155.09457	149.4
[M+K]+	176.02391	132.0
[M+H-H2O]+	120.05801	124.1
[M+HCOO]-	182.05895	147.0
[M+CH3COO]-	196.07460	172.2
[M+Na-2H]-	158.03542	134.5
[M]+	137.06020	129.0
[M]-	137.06130	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe