CID 22326

6004-60-0

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

CC(=O)C1CCCC1

InChI

InChI=1S/C7H12O/c1-6(8)7-4-2-3-5-7/h7H,2-5H2,1H3

InChIKey

LKENTYLPIUIMFG-UHFFFAOYSA-N

Compound name

1-cyclopentylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2629
Patents: 112.08881 Da
Monoisotopic Mass: 1.5
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]+	113.096086	124.0
[M+Na]+	135.078028	130.1
[M-H]-	111.081534	127.2
[M+NH4]+	130.122633	148.3
[M+K]+	151.051968	129.9
[M+H-H2O]+	95.086070	119.2
[M+HCOO]-	157.087011	146.4
[M+CH3COO]-	171.102661	168.2
[M+Na-2H]-	133.063476	127.8
[M]+	112.08826142	121.1
[M]-	112.08935858	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe