CID 90720

22030-19-9

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC1=C(C(CCC1)(C)C)C=CC(C)OC(=O)C

InChI

InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3

InChIKey

WODKSVNXBYBTQC-UHFFFAOYSA-N

Compound name

4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 20
Patents: 236.17763 Da
Monoisotopic Mass: 3.5
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]+	237.18491	155.8
[M+Na]+	259.16685	161.7
[M-H]-	235.17035	159.1
[M+NH4]+	254.21145	176.1
[M+K]+	275.14079	160.0
[M+H-H2O]+	219.17489	151.0
[M+HCOO]-	281.17583	174.5
[M+CH3COO]-	295.19148	194.7
[M+Na-2H]-	257.15230	156.5
[M]+	236.17708	156.3
[M]-	236.17818	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe