CID 10396866

44817-99-4

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C=CC(=O)NCCCO

InChI

InChI=1S/C6H11NO2/c1-2-6(9)7-4-3-5-8/h2,8H,1,3-5H2,(H,7,9)

InChIKey

ZEMHQYNMVKDBFJ-UHFFFAOYSA-N

Compound name

N-(3-hydroxypropyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3566
Patents: 129.07898 Da
Monoisotopic Mass: -0.2
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]+	130.086256	127.4
[M+Na]+	152.068198	133.7
[M-H]-	128.071704	126.3
[M+NH4]+	147.112803	148.5
[M+K]+	168.042138	132.7
[M+H-H2O]+	112.076240	122.7
[M+HCOO]-	174.077181	150.6
[M+CH3COO]-	188.092831	171.6
[M+Na-2H]-	150.053646	132.9
[M]+	129.07843142	126.7
[M]-	129.07952858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe