CID 57725188

1-(3,3-dimethoxycyclobutyl)ethan-1-one

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(=O)C1CC(C1)(OC)OC

InChI

InChI=1S/C8H14O3/c1-6(9)7-4-8(5-7,10-2)11-3/h7H,4-5H2,1-3H3

InChIKey

RYTGCGUCXZPNJE-UHFFFAOYSA-N

Compound name

1-(3,3-dimethoxycyclobutyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 158.0943 Da
Monoisotopic Mass: 0.1
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]+	159.101576	131.5
[M+Na]+	181.083518	137.8
[M-H]-	157.087024	135.5
[M+NH4]+	176.128123	148.1
[M+K]+	197.057458	141.4
[M+H-H2O]+	141.091560	123.0
[M+HCOO]-	203.092501	152.8
[M+CH3COO]-	217.108151	181.3
[M+Na-2H]-	179.068966	136.7
[M]+	158.09375142	142.9
[M]-	158.09484858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe