CID 73693929

Dtxsid60889050

Structural Information

Molecular Formula

C₁₇H₂₈O₂

SMILES

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

InChI

InChI=1S/C17H28O2/c1-13(9-11-16(18)19-5)8-10-15-14(2)7-6-12-17(15,3)4/h9H,6-8,10-12H2,1-5H3

InChIKey

RHIVEMKMSIGPND-UHFFFAOYSA-N

Compound name

methyl 4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 30
Patents: 264.20892 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]+	265.216196	165.1
[M+Na]+	287.198138	170.1
[M-H]-	263.201644	167.9
[M+NH4]+	282.242743	184.2
[M+K]+	303.172078	167.9
[M+H-H2O]+	247.206180	159.9
[M+HCOO]-	309.207121	183.0
[M+CH3COO]-	323.222771	200.7
[M+Na-2H]-	285.183586	164.7
[M]+	264.20837142	166.3
[M]-	264.20946858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe