CID 324200

6-acrylamidohexanoic acid

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

C=CC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C9H15NO3/c1-2-8(11)10-7-5-3-4-6-9(12)13/h2H,1,3-7H2,(H,10,11)(H,12,13)

InChIKey

SAQWCPXBLNGTCC-UHFFFAOYSA-N

Compound name

6-(prop-2-enoylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1138
Patents: 185.1052 Da
Monoisotopic Mass: 0.7
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]+	186.11248	143.4
[M+Na]+	208.09442	150.5
[M+NH4]+	203.13902	148.5
[M+K]+	224.06836	146.4
[M-H]-	184.09792	140.7
[M+Na-2H]-	206.07987	144.2
[M]+	185.10465	143.0
[M]-	185.10575	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe