CID 223415

2-hydroxy-n-(prop-2-en-1-yl)propanamide

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C(=O)NCC=C)O

InChI

InChI=1S/C6H11NO2/c1-3-4-7-6(9)5(2)8/h3,5,8H,1,4H2,2H3,(H,7,9)

InChIKey

JQDYNPXBPRMQQJ-UHFFFAOYSA-N

Compound name

2-hydroxy-N-prop-2-enylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 129.07898 Da
Monoisotopic Mass: -0.1
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]+	130.08626	127.9
[M+Na]+	152.06820	134.0
[M-H]-	128.07170	126.9
[M+NH4]+	147.11280	148.9
[M+K]+	168.04214	133.5
[M+H-H2O]+	112.07624	123.3
[M+HCOO]-	174.07718	150.1
[M+CH3COO]-	188.09283	172.4
[M+Na-2H]-	150.05365	132.1
[M]+	129.07843	126.5
[M]-	129.07953	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe