CID 5864959

Sorbohydroxamic acid

Structural Information

Molecular Formula

SMILES

C/C=C/C=C/C(=O)NO

InChI

InChI=1S/C6H9NO2/c1-2-3-4-5-6(8)7-9/h2-5,9H,1H3,(H,7,8)/b3-2+,5-4+

InChIKey

AKPBWCUNVIPWOM-MQQKCMAXSA-N

Compound name

(2E,4E)-N-hydroxyhexa-2,4-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 127.06333 Da
Monoisotopic Mass: 0.5
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]+	128.07061	126.4
[M+Na]+	150.05255	133.2
[M-H]-	126.05605	125.4
[M+NH4]+	145.09715	147.6
[M+K]+	166.02649	131.5
[M+H-H2O]+	110.06059	121.8
[M+HCOO]-	172.06153	149.8
[M+CH3COO]-	186.07718	169.3
[M+Na-2H]-	148.03800	131.9
[M]+	127.06278	124.8
[M]-	127.06388	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe