CID 116940

70942-03-9

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C9H19NO3/c1-2-3-4-9(13)10(5-7-11)6-8-12/h11-12H,2-8H2,1H3

InChIKey

RBYBLKRMFXJVST-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 189.13649 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]+	190.143766	145.9
[M+Na]+	212.125708	150.4
[M-H]-	188.129214	144.3
[M+NH4]+	207.170313	164.5
[M+K]+	228.099648	150.2
[M+H-H2O]+	172.133750	140.4
[M+HCOO]-	234.134691	167.2
[M+CH3COO]-	248.150341	184.5
[M+Na-2H]-	210.111156	148.5
[M]+	189.13594142	147.8
[M]-	189.13703858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe