CID 20450761

Spiro[4.4]nonane-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC2(C1)CCC(C2)C(=O)O

InChI

InChI=1S/C10H16O2/c11-9(12)8-3-6-10(7-8)4-1-2-5-10/h8H,1-7H2,(H,11,12)

InChIKey

GGPRNIGAPJFPJB-UHFFFAOYSA-N

Compound name

spiro[4.4]nonane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 168.11504 Da
Monoisotopic Mass: 2.8
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]+	169.122316	141.3
[M+Na]+	191.104258	146.4
[M-H]-	167.107764	145.0
[M+NH4]+	186.148863	166.3
[M+K]+	207.078198	144.5
[M+H-H2O]+	151.112300	136.9
[M+HCOO]-	213.113241	160.6
[M+CH3COO]-	227.128891	173.1
[M+Na-2H]-	189.089706	142.5
[M]+	168.11449142	135.3
[M]-	168.11558858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe