CID 170575

41767-05-9

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

CC(C)CCCC(C)CCOCC=O

InChI

InChI=1S/C12H24O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h8,11-12H,4-7,9-10H2,1-3H3

InChIKey

BGUUSKIYBZUCDC-UHFFFAOYSA-N

Compound name

2-(3,7-dimethyloctoxy)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 200.17763 Da
Monoisotopic Mass: 3.7
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	150.4
[M+Na]+	223.16685	159.2
[M+NH4]+	218.21145	157.2
[M+K]+	239.14079	153.4
[M-H]-	199.17035	149.1
[M+Na-2H]-	221.15230	152.2
[M]+	200.17708	151.0
[M]-	200.17818	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe