CID 28952043

2375260-05-0

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1C(CC12COC2)C(=O)O

InChI

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

InChIKey

ZWRRDOVWTVEVRS-UHFFFAOYSA-N

Compound name

2-oxaspiro[3.3]heptane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	143.070266	117.6
[M+Na]+	165.052208	121.5
[M-H]-	141.055714	122.5
[M+NH4]+	160.096813	125.7
[M+K]+	181.026148	127.8
[M+H-H2O]+	125.060250	105.2
[M+HCOO]-	187.061191	134.2
[M+CH3COO]-	201.076841	183.4
[M+Na-2H]-	163.037656	124.7
[M]+	142.06244142	132.6
[M]-	142.06353858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe