CID 63333375

5-oxaspiro[2.4]heptane-1-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1COCC12CC2C(=O)O

InChI

InChI=1S/C7H10O3/c8-6(9)5-3-7(5)1-2-10-4-7/h5H,1-4H2,(H,8,9)

InChIKey

JFLODICQTNGUOG-UHFFFAOYSA-N

Compound name

5-oxaspiro[2.4]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 142.06299 Da
Monoisotopic Mass: 0.0
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]+	143.07027	127.5
[M+Na]+	165.05221	136.7
[M-H]-	141.05571	133.7
[M+NH4]+	160.09681	146.0
[M+K]+	181.02615	136.5
[M+H-H2O]+	125.06025	123.5
[M+HCOO]-	187.06119	147.5
[M+CH3COO]-	201.07684	171.8
[M+Na-2H]-	163.03766	134.1
[M]+	142.06244	128.8
[M]-	142.06354	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe