CID 78070

Cyclohexanepropanal

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CCC(CC1)CCC=O

InChI

InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h8-9H,1-7H2

InChIKey

RKFNAZGRJVNWEW-UHFFFAOYSA-N

Compound name

3-cyclohexylpropanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1135
Patents: 140.12012 Da
Monoisotopic Mass: 2.8
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]+	141.127396	131.5
[M+Na]+	163.109338	136.1
[M-H]-	139.112844	134.0
[M+NH4]+	158.153943	152.9
[M+K]+	179.083278	134.9
[M+H-H2O]+	123.117380	126.0
[M+HCOO]-	185.118321	152.2
[M+CH3COO]-	199.133971	173.7
[M+Na-2H]-	161.094786	136.8
[M]+	140.11957142	127.9
[M]-	140.12066858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe