CID 3017994

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

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CCCNCC(CO)O

InChI

InChI=1S/C6H15NO2/c1-2-3-7-4-6(9)5-8/h6-9H,2-5H2,1H3

InChIKey

DFLPEEAGRQDYGF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 133.11028 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]+	134.117556	130.8
[M+Na]+	156.099498	136.0
[M-H]-	132.103004	128.1
[M+NH4]+	151.144103	151.0
[M+K]+	172.073438	135.2
[M+H-H2O]+	116.107540	126.0
[M+HCOO]-	178.108481	152.0
[M+CH3COO]-	192.124131	171.5
[M+Na-2H]-	154.084946	135.6
[M]+	133.10973142	129.6
[M]-	133.11082858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.