CID 175609

94333-50-3

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CCC1=C(C(CCC1C)(C)C)C(=O)OCC

InChI

InChI=1S/C14H24O2/c1-6-11-10(3)8-9-14(4,5)12(11)13(15)16-7-2/h10H,6-9H2,1-5H3

InChIKey

KTRBAYCZFGTSLJ-UHFFFAOYSA-N

Compound name

ethyl 2-ethyl-3,6,6-trimethylcyclohexene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5
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]+	225.18491	151.4
[M+Na]+	247.16685	158.5
[M-H]-	223.17035	155.1
[M+NH4]+	242.21145	172.6
[M+K]+	263.14079	157.2
[M+H-H2O]+	207.17489	146.9
[M+HCOO]-	269.17583	171.2
[M+CH3COO]-	283.19148	193.5
[M+Na-2H]-	245.15230	153.3
[M]+	224.17708	153.4
[M]-	224.17818	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe