CID 83906679

Spiro[4.5]decane-6-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C1CCC2(CCCC2)C(C1)C(=O)O

InChI

InChI=1S/C11H18O2/c12-10(13)9-5-1-2-6-11(9)7-3-4-8-11/h9H,1-8H2,(H,12,13)

InChIKey

XPJBFOCXEOPFIB-UHFFFAOYSA-N

Compound name

spiro[4.5]decane-10-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 182.13068 Da
Monoisotopic Mass: 3.6
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]+	183.13796	144.3
[M+Na]+	205.11990	152.5
[M+NH4]+	200.16450	154.4
[M+K]+	221.09384	146.8
[M-H]-	181.12340	146.0
[M+Na-2H]-	203.10535	149.0
[M]+	182.13013	145.7
[M]-	182.13123	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe