CID 131028083

2-(3,3-dimethylcyclobutyl)acetaldehyde

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1(CC(C1)CC=O)C

InChI

InChI=1S/C8H14O/c1-8(2)5-7(6-8)3-4-9/h4,7H,3,5-6H2,1-2H3

InChIKey

SNFNLHNHRQAMOD-UHFFFAOYSA-N

Compound name

2-(3,3-dimethylcyclobutyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.10446 Da
Monoisotopic Mass: 2.0
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]+	127.11174	126.6
[M+Na]+	149.09368	133.5
[M+NH4]+	144.13828	132.9
[M+K]+	165.06762	127.6
[M-H]-	125.09718	125.4
[M+Na-2H]-	147.07913	130.8
[M]+	126.10391	126.2
[M]-	126.10501	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.