CID 3017702

2-isopropyl-5-methylhexanal

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

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

InChI

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

InChIKey

STZPMOIAPWTLNJ-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-ylhexanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
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	138.9
[M+Na]+	179.14063	148.3
[M+NH4]+	174.18523	146.5
[M+K]+	195.11457	143.2
[M-H]-	155.14413	138.1
[M+Na-2H]-	177.12608	141.4
[M]+	156.15086	139.8
[M]-	156.15196	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe