CID 57202125

3-(cyclopentyloxy)propanal

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CCC(C1)OCCC=O

InChI

InChI=1S/C8H14O2/c9-6-3-7-10-8-4-1-2-5-8/h6,8H,1-5,7H2

InChIKey

NWSNCUXTRHLVRO-UHFFFAOYSA-N

Compound name

3-cyclopentyloxypropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 142.09938 Da
Monoisotopic Mass: 0.8
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]+	143.106656	131.2
[M+Na]+	165.088598	137.1
[M-H]-	141.092104	134.0
[M+NH4]+	160.133203	154.2
[M+K]+	181.062538	136.5
[M+H-H2O]+	125.096640	125.9
[M+HCOO]-	187.097581	154.5
[M+CH3COO]-	201.113231	172.4
[M+Na-2H]-	163.074046	135.6
[M]+	142.09883142	130.7
[M]-	142.09992858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe