CID 170914655

4-cyclobutyl-3-methylbutanal

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC(CC=O)CC1CCC1

InChI

InChI=1S/C9H16O/c1-8(5-6-10)7-9-3-2-4-9/h6,8-9H,2-5,7H2,1H3

InChIKey

ODAHKWKAAFSZMB-UHFFFAOYSA-N

Compound name

4-cyclobutyl-3-methylbutanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.12012 Da
Monoisotopic Mass: 2.7
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]+	141.12740	131.9
[M+Na]+	163.10934	137.7
[M+NH4]+	158.15394	136.5
[M+K]+	179.08328	133.7
[M-H]-	139.11284	130.4
[M+Na-2H]-	161.09479	134.1
[M]+	140.11957	131.0
[M]-	140.12067	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.