CID 53424566

Nbmxnmwuuztckq-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₆H₂₆O₂

SMILES

CCC(=CCC1CC=C(C1(C)C)C)COC(=O)C

InChI

InChI=1S/C16H26O2/c1-6-14(11-18-13(3)17)8-10-15-9-7-12(2)16(15,4)5/h7-8,15H,6,9-11H2,1-5H3

InChIKey

NBMXNMWUUZTCKQ-UHFFFAOYSA-N

Compound name

[2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.19328 Da
Monoisotopic Mass: 4.1
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]+	251.200556	161.7
[M+Na]+	273.182498	168.1
[M-H]-	249.186004	165.0
[M+NH4]+	268.227103	183.3
[M+K]+	289.156438	165.8
[M+H-H2O]+	233.190540	157.2
[M+HCOO]-	295.191481	182.1
[M+CH3COO]-	309.207131	197.3
[M+Na-2H]-	271.167946	160.7
[M]+	250.19273142	164.6
[M]-	250.19382858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.