CID 86186

121733-80-0

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCC(CO)OC(=O)C=C

InChI

InChI=1S/C7H12O3/c1-3-6(5-8)10-7(9)4-2/h4,6,8H,2-3,5H2,1H3

InChIKey

QQIFWCIRQPKKAH-UHFFFAOYSA-N

Compound name

1-hydroxybutan-2-yl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
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	131.3
[M+Na]+	167.06786	140.1
[M+NH4]+	162.11246	137.7
[M+K]+	183.04180	136.3
[M-H]-	143.07136	128.9
[M+Na-2H]-	165.05331	133.2
[M]+	144.07809	131.4
[M]-	144.07919	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe