CID 20205961

2-cyclopentylpropanal

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C=O)C1CCCC1

InChI

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

InChIKey

QQOCJHKBZXOCAA-UHFFFAOYSA-N

Compound name

2-cyclopentylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 126.10446 Da
Monoisotopic Mass: 2.4
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	128.9
[M+Na]+	149.09368	138.5
[M+NH4]+	144.13828	137.9
[M+K]+	165.06762	134.4
[M-H]-	125.09718	130.1
[M+Na-2H]-	147.07913	133.2
[M]+	126.10391	130.4
[M]-	126.10501	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe