CID 10855589

33537-17-6

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

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

InChI

InChI=1S/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h6,8H,2,4H2,1,3H3

InChIKey

ACQFOMVLRAEQCK-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxy-3-methylbut-3-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 57
Patents: 144.07864 Da
Monoisotopic Mass: 1.3
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	130.7
[M+Na]+	167.06786	137.1
[M-H]-	143.07136	129.7
[M+NH4]+	162.11246	151.4
[M+K]+	183.04180	137.3
[M+H-H2O]+	127.07590	126.4
[M+HCOO]-	189.07684	150.9
[M+CH3COO]-	203.09249	173.6
[M+Na-2H]-	165.05331	133.0
[M]+	144.07809	131.4
[M]-	144.07919	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe