CID 2733865

16200-53-6

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1C2CC3CC1CC3(C2)C(=O)O

InChI

InChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)

InChIKey

RXUUYFUQAGICCD-UHFFFAOYSA-N

Compound name

tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 302
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	138.2
[M+Na]+	189.088598	143.2
[M-H]-	165.092104	135.0
[M+NH4]+	184.133203	168.3
[M+K]+	205.062538	140.1
[M+H-H2O]+	149.096640	135.4
[M+HCOO]-	211.097581	149.5
[M+CH3COO]-	225.113231	149.4
[M+Na-2H]-	187.074046	145.3
[M]+	166.09883142	139.6
[M]-	166.09992858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe