CID 3039525

Brn 2448259

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CC(C)CC1CCC(=CC1)C(C)(C)C(=O)O

InChI

InChI=1S/C14H24O2/c1-10(2)9-11-5-7-12(8-6-11)14(3,4)13(15)16/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16)

InChIKey

LGUBLUSZVIGEIQ-UHFFFAOYSA-N

Compound name

2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.17763 Da
Monoisotopic Mass: 4.0
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]+	225.184906	154.5
[M+Na]+	247.166848	158.5
[M-H]-	223.170354	155.9
[M+NH4]+	242.211453	172.2
[M+K]+	263.140788	156.8
[M+H-H2O]+	207.174890	149.4
[M+HCOO]-	269.175831	170.2
[M+CH3COO]-	283.191481	190.9
[M+Na-2H]-	245.152296	155.4
[M]+	224.17708142	152.4
[M]-	224.17817858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe