CID 154853068

2445791-77-3

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1CC2C3CC1C(C2C3)C(=O)O

InChI

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

InChIKey

XTGSMMSRCUWUEA-UHFFFAOYSA-N

Compound name

tricyclo[3.3.1.02,7]nonane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 2.3
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	140.3
[M+Na]+	189.088598	142.6
[M-H]-	165.092104	138.2
[M+NH4]+	184.133203	158.8
[M+K]+	205.062538	143.7
[M+H-H2O]+	149.096640	130.7
[M+HCOO]-	211.097581	147.7
[M+CH3COO]-	225.113231	149.9
[M+Na-2H]-	187.074046	149.0
[M]+	166.09883142	148.9
[M]-	166.09992858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.