CID 12734618

10208-72-7

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c1-6(2,9)4-3-5(7)8/h3-4,9H,1-2H3,(H,7,8)/b4-3+

InChIKey

PDFAAQLHHBQRPO-ONEGZZNKSA-N

Compound name

(E)-4-hydroxy-4-methylpent-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 130.06299 Da
Monoisotopic Mass: 0.0
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]+	131.070266	126.3
[M+Na]+	153.052208	133.6
[M-H]-	129.055714	124.2
[M+NH4]+	148.096813	147.1
[M+K]+	169.026148	132.5
[M+H-H2O]+	113.060250	122.9
[M+HCOO]-	175.061191	145.7
[M+CH3COO]-	189.076841	166.4
[M+Na-2H]-	151.037656	131.9
[M]+	130.06244142	125.5
[M]-	130.06353858	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe