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: 18
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	129.6
[M+Na]+	149.09368	141.5
[M+NH4]+	144.13828	140.0
[M+K]+	165.06762	136.2
[M-H]-	125.09718	137.5
[M+Na-2H]-	147.07913	138.3
[M]+	126.10391	134.7
[M]-	126.10501	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe