CID 12570572

3-isopropylcyclopentanone

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C)C1CCC(=O)C1

InChI

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

InChIKey

PYAUPTMCTBUIGA-UHFFFAOYSA-N

Compound name

3-propan-2-ylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 259
Patents: 126.10446 Da
Monoisotopic Mass: 1.6
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	128.2
[M+Na]+	149.09368	138.1
[M+NH4]+	144.13828	137.2
[M+K]+	165.06762	134.3
[M-H]-	125.09718	129.5
[M+Na-2H]-	147.07913	132.3
[M]+	126.10391	129.7
[M]-	126.10501	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe