CID 170769

46729-07-1

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C

InChI

InChI=1S/C14H24O2/c1-10(2)13(15)16-12-8-6-11(7-9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3

InChIKey

PILKNUBLAZTESB-UHFFFAOYSA-N

Compound name

(4-tert-butylcyclohexyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1648
Patents: 224.17763 Da
Monoisotopic Mass: 4.3
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]+	225.18491	154.1
[M+Na]+	247.16685	158.0
[M-H]-	223.17035	156.7
[M+NH4]+	242.21145	172.5
[M+K]+	263.14079	156.9
[M+H-H2O]+	207.17489	149.0
[M+HCOO]-	269.17583	170.1
[M+CH3COO]-	283.19148	191.7
[M+Na-2H]-	245.15230	154.6
[M]+	224.17708	151.7
[M]-	224.17818	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe