CID 84081981

2-(3-methyloxetan-3-yl)acetaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(COC1)CC=O

InChI

InChI=1S/C6H10O2/c1-6(2-3-7)4-8-5-6/h3H,2,4-5H2,1H3

InChIKey

HBFAGGYJHPEMOX-UHFFFAOYSA-N

Compound name

2-(3-methyloxetan-3-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
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]+	115.07536	116.6
[M+Na]+	137.05730	123.4
[M-H]-	113.06080	121.3
[M+NH4]+	132.10190	133.6
[M+K]+	153.03124	127.5
[M+H-H2O]+	97.065340	108.5
[M+HCOO]-	159.06628	138.7
[M+CH3COO]-	173.08193	171.5
[M+Na-2H]-	135.04275	126.1
[M]+	114.06753	126.8
[M]-	114.06863	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe