CID 20298337

5-(n-methylacetamido)pentanoic acid

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC(=O)N(C)CCCCC(=O)O

InChI

InChI=1S/C8H15NO3/c1-7(10)9(2)6-4-3-5-8(11)12/h3-6H2,1-2H3,(H,11,12)

InChIKey

KPBHEOLLZXOMCH-UHFFFAOYSA-N

Compound name

5-[acetyl(methyl)amino]pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 173.1052 Da
Monoisotopic Mass: -0.1
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]+	174.11248	139.4
[M+Na]+	196.09442	146.9
[M+NH4]+	191.13902	145.3
[M+K]+	212.06836	143.7
[M-H]-	172.09792	137.5
[M+Na-2H]-	194.07987	140.9
[M]+	173.10465	139.4
[M]-	173.10575	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe