CID 3023677

94134-45-9

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CC(=C)C(=O)OC1CCCCC1C(C)(C)C

InChI

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

InChIKey

YDLVSIHYCVMLPY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 224.17763 Da
Monoisotopic Mass: 4.5
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	154.1
[M+Na]+	247.166848	158.0
[M-H]-	223.170354	156.7
[M+NH4]+	242.211453	172.5
[M+K]+	263.140788	156.9
[M+H-H2O]+	207.174890	149.0
[M+HCOO]-	269.175831	170.1
[M+CH3COO]-	283.191481	191.7
[M+Na-2H]-	245.152296	154.6
[M]+	224.17708142	151.7
[M]-	224.17817858	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe