CID 97749

1-amino-3-(diethylamino)propan-2-ol

Structural Information

Molecular Formula

C₇H₁₈N₂O

SMILES

CCN(CC)CC(CN)O

InChI

InChI=1S/C7H18N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6,8H2,1-2H3

InChIKey

LEJMOTVCCRDZNE-UHFFFAOYSA-N

Compound name

1-amino-3-(diethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 158
Patents: 146.1419 Da
Monoisotopic Mass: -0.6
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]+	147.14918	134.4
[M+Na]+	169.13112	141.7
[M+NH4]+	164.17572	141.6
[M+K]+	185.10506	137.7
[M-H]-	145.13462	134.3
[M+Na-2H]-	167.11657	136.9
[M]+	146.14135	135.0
[M]-	146.14245	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.