CID 14002350

2-cyclohexyl-2-methylpropanal

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(C)(C=O)C1CCCCC1

InChI

InChI=1S/C10H18O/c1-10(2,8-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

CELVDAZMRZCTTA-UHFFFAOYSA-N

Compound name

2-cyclohexyl-2-methylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 154.13577 Da
Monoisotopic Mass: 3.3
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]+	155.143046	135.6
[M+Na]+	177.124988	140.3
[M-H]-	153.128494	138.3
[M+NH4]+	172.169593	156.6
[M+K]+	193.098928	139.2
[M+H-H2O]+	137.133030	130.7
[M+HCOO]-	199.133971	154.4
[M+CH3COO]-	213.149621	177.0
[M+Na-2H]-	175.110436	141.1
[M]+	154.13522142	131.9
[M]-	154.13631858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe