CID 14546681

1-methoxycyclobutane-1-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COC1(CCC1)C=O

InChI

InChI=1S/C6H10O2/c1-8-6(5-7)3-2-4-6/h5H,2-4H2,1H3

InChIKey

GRNDOCRMBKCXOA-UHFFFAOYSA-N

Compound name

1-methoxycyclobutane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 114.06808 Da
Monoisotopic Mass: 0.3
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]+	115.07536	118.7
[M+Na]+	137.05730	125.4
[M-H]-	113.06080	122.7
[M+NH4]+	132.10190	136.8
[M+K]+	153.03124	128.5
[M+H-H2O]+	97.065340	110.5
[M+HCOO]-	159.06628	141.6
[M+CH3COO]-	173.08193	171.6
[M+Na-2H]-	135.04275	126.9
[M]+	114.06753	128.3
[M]-	114.06863	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe