CID 23455785

1-[1-(propan-2-yl)cyclopropyl]ethan-1-one

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C)C1(CC1)C(=O)C

InChI

InChI=1S/C8H14O/c1-6(2)8(4-5-8)7(3)9/h6H,4-5H2,1-3H3

InChIKey

KVMBMUGSLSHYOA-UHFFFAOYSA-N

Compound name

1-(1-propan-2-ylcyclopropyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
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]+	127.111736	127.3
[M+Na]+	149.093678	136.1
[M-H]-	125.097184	132.3
[M+NH4]+	144.138283	146.6
[M+K]+	165.067618	135.9
[M+H-H2O]+	109.101720	123.1
[M+HCOO]-	171.102661	149.0
[M+CH3COO]-	185.118311	177.6
[M+Na-2H]-	147.079126	132.7
[M]+	126.10391142	130.4
[M]-	126.10500858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe