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: 1136
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]+	186.112476	142.8
[M+Na]+	208.094418	147.9
[M-H]-	184.097924	141.2
[M+NH4]+	203.139023	161.4
[M+K]+	224.068358	146.4
[M+H-H2O]+	168.102460	137.4
[M+HCOO]-	230.103401	164.5
[M+CH3COO]-	244.119051	182.7
[M+Na-2H]-	206.079866	145.5
[M]+	185.10465142	143.3
[M]-	185.10574858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe