CID 23122209

5-(methylamino)pentane-1,2-diol hydrochloride

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CNCCCC(CO)O

InChI

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

InChIKey

NRVCJRHYKFYMDJ-UHFFFAOYSA-N

Compound name

5-(methylamino)pentane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 133.11028 Da
Monoisotopic Mass: -0.8
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]+	134.11756	130.8
[M+Na]+	156.09950	136.0
[M-H]-	132.10300	128.1
[M+NH4]+	151.14410	151.0
[M+K]+	172.07344	135.2
[M+H-H2O]+	116.10754	126.0
[M+HCOO]-	178.10848	152.0
[M+CH3COO]-	192.12413	171.5
[M+Na-2H]-	154.08495	135.6
[M]+	133.10973	129.6
[M]-	133.11083	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe