CID 109323

2,3,5,5-tetramethylhexanal

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

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

InChI

InChI=1S/C10H20O/c1-8(9(2)7-11)6-10(3,4)5/h7-9H,6H2,1-5H3

InChIKey

COJYJCJUBHUSDJ-UHFFFAOYSA-N

Compound name

2,3,5,5-tetramethylhexanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 137
Patents: 156.15141 Da
Monoisotopic Mass: 3.3
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]+	157.15869	138.8
[M+Na]+	179.14063	148.2
[M+NH4]+	174.18523	146.3
[M+K]+	195.11457	143.6
[M-H]-	155.14413	137.5
[M+Na-2H]-	177.12608	141.5
[M]+	156.15086	139.6
[M]-	156.15196	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe