CID 22414177

4-methoxybutanamide

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

COCCCC(=O)N

InChI

InChI=1S/C5H11NO2/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7)

InChIKey

XJXBWJFUCWOLSY-UHFFFAOYSA-N

Compound name

4-methoxybutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 447
Patents: 117.07898 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]+	118.086256	123.7
[M+Na]+	140.068198	130.5
[M-H]-	116.071704	123.7
[M+NH4]+	135.112803	145.8
[M+K]+	156.042138	130.9
[M+H-H2O]+	100.076240	118.9
[M+HCOO]-	162.077181	147.9
[M+CH3COO]-	176.092831	172.1
[M+Na-2H]-	138.053646	129.2
[M]+	117.07843142	124.3
[M]-	117.07952858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe