CID 105768

67845-57-2

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC(C)CCC=C1CCCC1=O

InChI

InChI=1S/C11H18O/c1-9(2)5-3-6-10-7-4-8-11(10)12/h6,9H,3-5,7-8H2,1-2H3

InChIKey

VVHLWZHKGNSZQT-UHFFFAOYSA-N

Compound name

2-(4-methylpentylidene)cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 166.13577 Da
Monoisotopic Mass: 3.0
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]+	167.14305	140.5
[M+Na]+	189.12499	146.3
[M-H]-	165.12849	143.4
[M+NH4]+	184.16959	162.9
[M+K]+	205.09893	144.3
[M+H-H2O]+	149.13303	135.4
[M+HCOO]-	211.13397	161.8
[M+CH3COO]-	225.14962	179.8
[M+Na-2H]-	187.11044	141.4
[M]+	166.13522	138.6
[M]-	166.13632	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe