CID 57455196

26882-05-3

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CC1C(=O)CC(C1(C)C)CC(=O)O

InChI

InChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)

InChIKey

VRCGDJCVKWWRME-UHFFFAOYSA-N

Compound name

2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 184.10994 Da
Monoisotopic Mass: 1.2
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]+	185.11722	141.1
[M+Na]+	207.09916	150.0
[M+NH4]+	202.14376	149.4
[M+K]+	223.07310	145.8
[M-H]-	183.10266	140.5
[M+Na-2H]-	205.08461	144.3
[M]+	184.10939	142.0
[M]-	184.11049	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe