CID 10931442

3-tert-butylcyclobutanone

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C)(C)C1CC(=O)C1

InChI

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

InChIKey

DUGBXGJNDWCDTG-UHFFFAOYSA-N

Compound name

3-tert-butylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 126.10446 Da
Monoisotopic Mass: 1.7
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	127.2
[M+Na]+	149.09368	133.6
[M+NH4]+	144.13828	131.9
[M+K]+	165.06762	130.5
[M-H]-	125.09718	125.3
[M+Na-2H]-	147.07913	129.7
[M]+	126.10391	126.3
[M]-	126.10501	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe