CID 137949889

4-methyl-2-oxabicyclo[2.1.1]hexane-1-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC12CC(C1)(OC2)C=O

InChI

InChI=1S/C7H10O2/c1-6-2-7(3-6,4-8)9-5-6/h4H,2-3,5H2,1H3

InChIKey

YGCRAEYPSSRJBC-UHFFFAOYSA-N

Compound name

4-methyl-2-oxabicyclo[2.1.1]hexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.06808 Da
Monoisotopic Mass: 0.4
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]+	127.075356	127.2
[M+Na]+	149.057298	135.2
[M-H]-	125.060804	129.8
[M+NH4]+	144.101903	152.6
[M+K]+	165.031238	137.2
[M+H-H2O]+	109.065340	122.4
[M+HCOO]-	171.066281	145.9
[M+CH3COO]-	185.081931	175.2
[M+Na-2H]-	147.042746	138.2
[M]+	126.06753142	141.6
[M]-	126.06862858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.