CID 154503951

Acetoacetic acid hydrazone

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

CC(=NN)CC(=O)O

InChI

InChI=1S/C4H8N2O2/c1-3(6-5)2-4(7)8/h2,5H2,1H3,(H,7,8)

InChIKey

YUGINPBFHFJHAT-UHFFFAOYSA-N

Compound name

3-hydrazinylidenebutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 116.05858 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]+	117.065856	122.5
[M+Na]+	139.047798	128.9
[M-H]-	115.051304	122.6
[M+NH4]+	134.092403	144.0
[M+K]+	155.021738	129.4
[M+H-H2O]+	99.055840	117.4
[M+HCOO]-	161.056781	147.1
[M+CH3COO]-	175.072431	173.3
[M+Na-2H]-	137.033246	127.3
[M]+	116.05803142	120.3
[M]-	116.05912858	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe