CID 5367915

Nsc 402482

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC/C(=C/C(=O)C)/O

InChI

InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h4,8H,3H2,1-2H3/b6-4-

InChIKey

HZEJQMZFNPCDQP-XQRVVYSFSA-N

Compound name

(Z)-4-hydroxyhex-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 114.06808 Da
Monoisotopic Mass: 1.2
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]+	115.07536	123.1
[M+Na]+	137.05730	130.2
[M-H]-	113.06080	122.3
[M+NH4]+	132.10190	145.2
[M+K]+	153.03124	129.7
[M+H-H2O]+	97.065340	119.2
[M+HCOO]-	159.06628	144.4
[M+CH3COO]-	173.08193	167.6
[M+Na-2H]-	135.04275	127.3
[M]+	114.06753	122.6
[M]-	114.06863	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe