CID 260708

2,2-dimethylcyclopropanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(CC1C(=O)O)C

InChI

InChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)

InChIKey

BFNMOMYTTGHNGJ-UHFFFAOYSA-N

Compound name

2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1663
Patents: 114.06808 Da
Monoisotopic Mass: 1.1
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]+	115.07536	124.3
[M+Na]+	137.05730	136.3
[M+NH4]+	132.10190	134.3
[M+K]+	153.03124	131.7
[M-H]-	113.06080	131.5
[M+Na-2H]-	135.04275	132.7
[M]+	114.06753	129.2
[M]-	114.06863	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe