CID 79445759

1559136-73-0

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCC(C)C(=O)C1CC1C

InChI

InChI=1S/C9H16O/c1-4-6(2)9(10)8-5-7(8)3/h6-8H,4-5H2,1-3H3

InChIKey

CZLZHOIZWUAXFT-UHFFFAOYSA-N

Compound name

2-methyl-1-(2-methylcyclopropyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 140.12012 Da
Monoisotopic Mass: 2.2
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]+	141.127396	130.4
[M+Na]+	163.109338	139.1
[M-H]-	139.112844	135.2
[M+NH4]+	158.153943	147.6
[M+K]+	179.083278	137.5
[M+H-H2O]+	123.117380	124.9
[M+HCOO]-	185.118321	152.1
[M+CH3COO]-	199.133971	182.0
[M+Na-2H]-	161.094786	133.7
[M]+	140.11957142	133.8
[M]-	140.12066858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe