CID 79113

Bicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC2CC1CC2C(=O)O

InChI

InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)

InChIKey

JESWDXIHOJGWBP-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1929
Patents: 140.08372 Da
Monoisotopic Mass: 1.8
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]+	141.09100	129.5
[M+Na]+	163.07294	137.2
[M+NH4]+	158.11754	138.5
[M+K]+	179.04688	136.1
[M-H]-	139.07644	128.8
[M+Na-2H]-	161.05839	130.1
[M]+	140.08317	129.9
[M]-	140.08427	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe