CID 160707

7-ethoxy-3,7-dimethyloctanal

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

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

InChI

InChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h10-11H,5-9H2,1-4H3

InChIKey

JACNKCPPJDIHTK-UHFFFAOYSA-N

Compound name

7-ethoxy-3,7-dimethyloctanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 200.17763 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]+	201.18491	150.1
[M+Na]+	223.16685	158.9
[M+NH4]+	218.21145	156.8
[M+K]+	239.14079	153.6
[M-H]-	199.17035	148.4
[M+Na-2H]-	221.15230	152.2
[M]+	200.17708	150.7
[M]-	200.17818	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe