CID 14022233

Hexanal, 6-cyclopentylidene-

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

C1CCC(=CCCCCC=O)C1

InChI

InChI=1S/C11H18O/c12-10-6-2-1-3-7-11-8-4-5-9-11/h7,10H,1-6,8-9H2

InChIKey

LTHVROVSDHPSKI-UHFFFAOYSA-N

Compound name

6-cyclopentylidenehexanal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 32
Patents: 166.13577 Da
Monoisotopic Mass: 2.5
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]+	167.143046	141.0
[M+Na]+	189.124988	146.0
[M-H]-	165.128494	143.4
[M+NH4]+	184.169593	163.1
[M+K]+	205.098928	143.6
[M+H-H2O]+	149.133030	135.4
[M+HCOO]-	211.133971	163.2
[M+CH3COO]-	225.149621	178.0
[M+Na-2H]-	187.110436	143.7
[M]+	166.13522142	139.3
[M]-	166.13631858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe