CID 68890

Loxanast

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CC(C)CCCC1CCC(CC1)(C)C(=O)O

InChI

InChI=1S/C14H26O2/c1-11(2)5-4-6-12-7-9-14(3,10-8-12)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)

InChIKey

HARNFRANZLWZKO-UHFFFAOYSA-N

Compound name

1-methyl-4-(4-methylpentyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 40
Patents: 226.19328 Da
Monoisotopic Mass: 4.9
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]+	227.20056	157.2
[M+Na]+	249.18250	165.8
[M+NH4]+	244.22710	165.9
[M+K]+	265.15644	158.5
[M-H]-	225.18600	157.8
[M+Na-2H]-	247.16795	161.0
[M]+	226.19273	158.5
[M]-	226.19383	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe