CID 103865

54043-73-1

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC1=C(C(CC1)C(=C)C)CC(C)COC(=O)C

InChI

InChI=1S/C15H24O2/c1-10(2)14-7-6-12(4)15(14)8-11(3)9-17-13(5)16/h11,14H,1,6-9H2,2-5H3

InChIKey

RCULSNWXGDTJBO-UHFFFAOYSA-N

Compound name

[2-methyl-3-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)propyl] acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 236.17763 Da
Monoisotopic Mass: 3.6
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]+	237.184906	159.2
[M+Na]+	259.166848	164.7
[M-H]-	235.170354	162.3
[M+NH4]+	254.211453	179.0
[M+K]+	275.140788	162.9
[M+H-H2O]+	219.174890	153.8
[M+HCOO]-	281.175831	178.8
[M+CH3COO]-	295.191481	196.3
[M+Na-2H]-	257.152296	156.0
[M]+	236.17708142	160.8
[M]-	236.17817858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe