CID 70398631

2287300-49-4

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CC2(CCC1C2)CCC(=O)O

InChI

InChI=1S/C10H16O2/c11-9(12)3-6-10-4-1-8(7-10)2-5-10/h8H,1-7H2,(H,11,12)

InChIKey

KZODIXXPJRQJHV-UHFFFAOYSA-N

Compound name

3-(1-bicyclo[2.2.1]heptanyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.11504 Da
Monoisotopic Mass: 2.7
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]+	169.12232	141.6
[M+Na]+	191.10426	147.6
[M-H]-	167.10776	142.7
[M+NH4]+	186.14886	168.1
[M+K]+	207.07820	145.4
[M+H-H2O]+	151.11230	138.0
[M+HCOO]-	213.11324	160.6
[M+CH3COO]-	227.12889	175.5
[M+Na-2H]-	189.08971	144.8
[M]+	168.11449	139.6
[M]-	168.11559	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe