CID 62378

Dihydrojasmone

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CCCCCC1=C(CCC1=O)C

InChI

InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3

InChIKey

YCIXWYOBMVNGTB-UHFFFAOYSA-N

Compound name

3-methyl-2-pentylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 5416
Patents: 166.13577 Da
Monoisotopic Mass: 2.9
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]+	167.143046	138.1
[M+Na]+	189.124988	145.8
[M-H]-	165.128494	141.6
[M+NH4]+	184.169593	161.1
[M+K]+	205.098928	143.7
[M+H-H2O]+	149.133030	133.2
[M+HCOO]-	211.133971	161.7
[M+CH3COO]-	225.149621	181.3
[M+Na-2H]-	187.110436	140.7
[M]+	166.13522142	139.5
[M]-	166.13631858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe