CID 79074

3-(diethylamino)-1,2-propanediol

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

CCN(CC)CC(CO)O

InChI

InChI=1S/C7H17NO2/c1-3-8(4-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3

InChIKey

LTACQVCHVAUOKN-UHFFFAOYSA-N

Compound name

3-(diethylamino)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2348
Patents: 147.12593 Da
Monoisotopic Mass: -0.3
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]+	148.13321	133.7
[M+Na]+	170.11515	141.5
[M+NH4]+	165.15975	140.6
[M+K]+	186.08909	137.7
[M-H]-	146.11865	132.5
[M+Na-2H]-	168.10060	135.9
[M]+	147.12538	134.0
[M]-	147.12648	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe