CID 53858163

Dtxsid901021123

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CC(C)CCCC(=CCCC=O)C

InChI

InChI=1S/C12H22O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10-11H,4-7,9H2,1-3H3

InChIKey

GUPPEAFTCCFGGC-UHFFFAOYSA-N

Compound name

5,9-dimethyldec-4-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 182.16707 Da
Monoisotopic Mass: 3.9
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]+	183.17435	147.0
[M+Na]+	205.15629	156.3
[M+NH4]+	200.20089	154.1
[M+K]+	221.13023	149.9
[M-H]-	181.15979	146.0
[M+Na-2H]-	203.14174	149.2
[M]+	182.16652	147.8
[M]-	182.16762	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe