CID 98284

473-47-2

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1CCC(C1(C)C)CC(=O)O

InChI

InChI=1S/C10H18O2/c1-7-4-5-8(6-9(11)12)10(7,2)3/h7-8H,4-6H2,1-3H3,(H,11,12)

InChIKey

ZSIJHYWOSUSCDZ-UHFFFAOYSA-N

Compound name

2-(2,2,3-trimethylcyclopentyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 170.13068 Da
Monoisotopic Mass: 2.8
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]+	171.137956	138.1
[M+Na]+	193.119898	145.3
[M-H]-	169.123404	140.4
[M+NH4]+	188.164503	162.0
[M+K]+	209.093838	143.9
[M+H-H2O]+	153.127940	134.6
[M+HCOO]-	215.128881	158.2
[M+CH3COO]-	229.144531	178.4
[M+Na-2H]-	191.105346	139.9
[M]+	170.13013142	136.9
[M]-	170.13122858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe