CID 11263536

1-cyclopropyl-3,3-dimethylbutan-1-one

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC(C)(C)CC(=O)C1CC1

InChI

InChI=1S/C9H16O/c1-9(2,3)6-8(10)7-4-5-7/h7H,4-6H2,1-3H3

InChIKey

GWKJLMYWFKWKSR-UHFFFAOYSA-N

Compound name

1-cyclopropyl-3,3-dimethylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 140.12012 Da
Monoisotopic Mass: 2.1
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]+	141.12740	133.4
[M+Na]+	163.10934	144.9
[M+NH4]+	158.15394	142.2
[M+K]+	179.08328	141.3
[M-H]-	139.11284	140.6
[M+Na-2H]-	161.09479	140.5
[M]+	140.11957	138.1
[M]-	140.12067	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe