CID 87647447

1-(methoxymethyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COCC1(CC1)C=O

InChI

InChI=1S/C6H10O2/c1-8-5-6(4-7)2-3-6/h4H,2-3,5H2,1H3

InChIKey

GDYUGWFFKOKCFC-UHFFFAOYSA-N

Compound name

1-(methoxymethyl)cyclopropane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 114.06808 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]+	115.075356	123.9
[M+Na]+	137.057298	134.0
[M-H]-	113.060804	129.1
[M+NH4]+	132.101903	143.7
[M+K]+	153.031238	133.7
[M+H-H2O]+	97.065340	119.5
[M+HCOO]-	159.066281	148.2
[M+CH3COO]-	173.081931	172.1
[M+Na-2H]-	135.042746	132.5
[M]+	114.06753142	128.9
[M]-	114.06862858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe