CID 13397315

96488-05-0

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(=O)[C@@H](CC=C)O

InChI

InChI=1S/C6H10O3/c1-3-4-5(7)6(8)9-2/h3,5,7H,1,4H2,2H3/t5-/m1/s1

InChIKey

JZBUJSFCZCCWBE-RXMQYKEDSA-N

Compound name

methyl (2R)-2-hydroxypent-4-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 130.06299 Da
Monoisotopic Mass: 0.6
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	126.1
[M+Na]+	153.052208	133.1
[M-H]-	129.055714	125.2
[M+NH4]+	148.096813	147.4
[M+K]+	169.026148	133.1
[M+H-H2O]+	113.060250	121.9
[M+HCOO]-	175.061191	147.5
[M+CH3COO]-	189.076841	169.6
[M+Na-2H]-	151.037656	130.2
[M]+	130.06244142	127.0
[M]-	130.06353858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe