CID 66583266

2408957-75-3

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

C1CC2(CCC(CC2)C(=O)O)OC1

InChI

InChI=1S/C10H16O3/c11-9(12)8-2-5-10(6-3-8)4-1-7-13-10/h8H,1-7H2,(H,11,12)

InChIKey

GEORDVAFKOMDCW-UHFFFAOYSA-N

Compound name

1-oxaspiro[4.5]decane-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 184.10994 Da
Monoisotopic Mass: 1.2
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]+	185.11722	141.3
[M+Na]+	207.09916	145.5
[M-H]-	183.10266	145.2
[M+NH4]+	202.14376	162.5
[M+K]+	223.07310	145.1
[M+H-H2O]+	167.10720	136.5
[M+HCOO]-	229.10814	157.8
[M+CH3COO]-	243.12379	175.1
[M+Na-2H]-	205.08461	144.9
[M]+	184.10939	135.3
[M]-	184.11049	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe