CID 146049949

2385559-41-9

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1CC12CC3(C2)CC(C3)C(=O)O

InChI

InChI=1S/C10H14O2/c11-8(12)7-3-10(4-7)5-9(6-10)1-2-9/h7H,1-6H2,(H,11,12)

InChIKey

VOXQGXUPSPUPFI-UHFFFAOYSA-N

Compound name

dispiro[2.1.35.13]nonane-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 2.2
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]+	167.106656	131.9
[M+Na]+	189.088598	138.0
[M-H]-	165.092104	139.1
[M+NH4]+	184.133203	138.7
[M+K]+	205.062538	141.9
[M+H-H2O]+	149.096640	121.1
[M+HCOO]-	211.097581	147.8
[M+CH3COO]-	225.113231	191.4
[M+Na-2H]-	187.074046	137.9
[M]+	166.09883142	147.6
[M]-	166.09992858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.