CID 145867694

2375273-87-1

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1C2CC(C1CC(=O)O)C3C2C3

InChI

InChI=1S/C10H14O2/c11-10(12)3-6-1-5-2-7(6)9-4-8(5)9/h5-9H,1-4H2,(H,11,12)

InChIKey

NVMBEBTXXPMSTD-UHFFFAOYSA-N

Compound name

2-(6-tricyclo[3.2.1.02,4]octanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 2.0
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	136.5
[M+Na]+	189.088598	146.3
[M-H]-	165.092104	139.9
[M+NH4]+	184.133203	157.6
[M+K]+	205.062538	141.8
[M+H-H2O]+	149.096640	133.1
[M+HCOO]-	211.097581	154.6
[M+CH3COO]-	225.113231	181.9
[M+Na-2H]-	187.074046	139.5
[M]+	166.09883142	138.9
[M]-	166.09992858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.