CID 99843

52557-98-9

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(C2CCC(C2)C1C(=O)O)C

InChI

InChI=1S/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)

InChIKey

KJKODDSNIDHCKV-UHFFFAOYSA-N

Compound name

3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 168.11504 Da
Monoisotopic Mass: 2.6
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	137.9
[M+Na]+	191.10426	145.7
[M+NH4]+	186.14886	148.1
[M+K]+	207.07820	142.7
[M-H]-	167.10776	137.2
[M+Na-2H]-	189.08971	139.4
[M]+	168.11449	138.6
[M]-	168.11559	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe