CID 58262674

3-cyclobutyl-2-methylpropanal

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(CC1CCC1)C=O

InChI

InChI=1S/C8H14O/c1-7(6-9)5-8-3-2-4-8/h6-8H,2-5H2,1H3

InChIKey

HRNAUPHLMBJIKS-UHFFFAOYSA-N

Compound name

3-cyclobutyl-2-methylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 126.10446 Da
Monoisotopic Mass: 2.2
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	127.5
[M+Na]+	149.09368	133.5
[M+NH4]+	144.13828	132.3
[M+K]+	165.06762	129.7
[M-H]-	125.09718	126.0
[M+Na-2H]-	147.07913	129.9
[M]+	126.10391	126.6
[M]-	126.10501	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe