CID 20320772

1314960-17-2

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC2(C1)CCC2C(=O)O

InChI

InChI=1S/C8H12O2/c9-7(10)6-2-5-8(6)3-1-4-8/h6H,1-5H2,(H,9,10)

InChIKey

BUHUUMJSTDLONB-UHFFFAOYSA-N

Compound name

spiro[3.3]heptane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 140.08372 Da
Monoisotopic Mass: 1.9
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]+	141.09100	135.7
[M+Na]+	163.07294	136.3
[M+NH4]+	158.11754	137.3
[M+K]+	179.04688	134.0
[M-H]-	139.07644	131.6
[M+Na-2H]-	161.05839	136.1
[M]+	140.08317	132.4
[M]-	140.08427	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe