CID 13541493

2-(but-3-en-1-yloxy)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C=CCCOCC(=O)O

InChI

InChI=1S/C6H10O3/c1-2-3-4-9-5-6(7)8/h2H,1,3-5H2,(H,7,8)

InChIKey

DPVIFLGTFFTKQK-UHFFFAOYSA-N

Compound name

2-but-3-enoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 130.06299 Da
Monoisotopic Mass: 0.8
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]+	131.07027	125.7
[M+Na]+	153.05221	132.8
[M-H]-	129.05571	124.6
[M+NH4]+	148.09681	147.0
[M+K]+	169.02615	132.3
[M+H-H2O]+	113.06025	121.3
[M+HCOO]-	175.06119	148.1
[M+CH3COO]-	189.07684	169.4
[M+Na-2H]-	151.03766	131.1
[M]+	130.06244	127.4
[M]-	130.06354	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe