CID 12243519

Cyclohexyl(cyclopropyl)methanone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C1CCC(CC1)C(=O)C2CC2

InChI

InChI=1S/C10H16O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h8-9H,1-7H2

InChIKey

HZRHGOMCJOCIPT-UHFFFAOYSA-N

Compound name

cyclohexyl(cyclopropyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 152.12012 Da
Monoisotopic Mass: 2.5
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]+	153.12740	133.3
[M+Na]+	175.10934	139.3
[M-H]-	151.11284	140.0
[M+NH4]+	170.15394	149.2
[M+K]+	191.08328	137.7
[M+H-H2O]+	135.11738	126.9
[M+HCOO]-	197.11832	153.2
[M+CH3COO]-	211.13397	179.6
[M+Na-2H]-	173.09479	137.5
[M]+	152.11957	130.7
[M]-	152.12067	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe