CID 10986362

Ethyl 2-hydroxypent-4-enoate

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCOC(=O)C(CC=C)O

InChI

InChI=1S/C7H12O3/c1-3-5-6(8)7(9)10-4-2/h3,6,8H,1,4-5H2,2H3

InChIKey

BHBWGDPROGTKMS-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxypent-4-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 144.07864 Da
Monoisotopic Mass: 1.0
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]+	145.08592	130.8
[M+Na]+	167.06786	137.4
[M-H]-	143.07136	129.7
[M+NH4]+	162.11246	151.6
[M+K]+	183.04180	137.1
[M+H-H2O]+	127.07590	126.4
[M+HCOO]-	189.07684	151.9
[M+CH3COO]-	203.09249	172.6
[M+Na-2H]-	165.05331	134.3
[M]+	144.07809	132.1
[M]-	144.07919	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe