CID 10329712

132663-73-1

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(C)(C)C12CC(C1)(C2)C(=O)O

InChI

InChI=1S/C10H16O2/c1-8(2,3)10-4-9(5-10,6-10)7(11)12/h4-6H2,1-3H3,(H,11,12)

InChIKey

UUWIRUOYXBPCQC-UHFFFAOYSA-N

Compound name

3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 168.11504 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]+	169.12232	154.3
[M+Na]+	191.10426	150.6
[M+NH4]+	186.14886	153.7
[M+K]+	207.07820	149.0
[M-H]-	167.10776	146.2
[M+Na-2H]-	189.08971	150.0
[M]+	168.11449	148.9
[M]-	168.11559	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe