CID 84038518

3-cyclopropoxypropanoic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC1OCCC(=O)O

InChI

InChI=1S/C6H10O3/c7-6(8)3-4-9-5-1-2-5/h5H,1-4H2,(H,7,8)

InChIKey

ILQUJBWBKNTLCO-UHFFFAOYSA-N

Compound name

3-cyclopropyloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 130.06299 Da
Monoisotopic Mass: 0.1
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	126.9
[M+Na]+	153.05221	137.8
[M+NH4]+	148.09681	134.8
[M+K]+	169.02615	135.0
[M-H]-	129.05571	133.3
[M+Na-2H]-	151.03766	133.4
[M]+	130.06244	131.0
[M]-	130.06354	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe