CID 66851680

106237-17-6

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1C2CC3CC1CC(C2)(O3)C(=O)O

InChI

InChI=1S/C10H14O3/c11-9(12)10-4-6-1-7(5-10)3-8(2-6)13-10/h6-8H,1-5H2,(H,11,12)

InChIKey

SDGBFSSBRFDOKB-UHFFFAOYSA-N

Compound name

2-oxatricyclo[3.3.1.13,7]decane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 182.0943 Da
Monoisotopic Mass: 1.4
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]+	183.10158	138.7
[M+Na]+	205.08352	147.6
[M+NH4]+	200.12812	150.9
[M+K]+	221.05746	140.1
[M-H]-	181.08702	137.0
[M+Na-2H]-	203.06897	135.1
[M]+	182.09375	139.5
[M]-	182.09485	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe