CID 11636931

N,n'-(propane-1,3-diyl)diacrylamide

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C=CC(=O)NCCCNC(=O)C=C

InChI

InChI=1S/C9H14N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h3-4H,1-2,5-7H2,(H,10,12)(H,11,13)

InChIKey

GJQRYIOSVPEUQJ-UHFFFAOYSA-N

Compound name

N-[3-(prop-2-enoylamino)propyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 436
Patents: 182.10553 Da
Monoisotopic Mass: 0.4
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]+	183.11281	143.5
[M+Na]+	205.09475	150.4
[M+NH4]+	200.13935	148.8
[M+K]+	221.06869	145.8
[M-H]-	181.09825	141.9
[M+Na-2H]-	203.08020	144.9
[M]+	182.10498	143.3
[M]-	182.10608	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe