CID 100977

6-methacrylamidohexanoic acid

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

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

InChI

InChI=1S/C10H17NO3/c1-8(2)10(14)11-7-5-3-4-6-9(12)13/h1,3-7H2,2H3,(H,11,14)(H,12,13)

InChIKey

FSFFIYOYBDBDMQ-UHFFFAOYSA-N

Compound name

6-(2-methylprop-2-enoylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 386
Patents: 199.12085 Da
Monoisotopic Mass: 1.1
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]+	200.128126	147.8
[M+Na]+	222.110068	152.3
[M-H]-	198.113574	146.1
[M+NH4]+	217.154673	165.8
[M+K]+	238.084008	151.0
[M+H-H2O]+	182.118110	142.3
[M+HCOO]-	244.119051	168.1
[M+CH3COO]-	258.134701	186.7
[M+Na-2H]-	220.095516	148.6
[M]+	199.12030142	148.0
[M]-	199.12139858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe