CID 58424487

1212021-33-4

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1(CC(CC(O1)(C)C)C=O)C

InChI

InChI=1S/C10H18O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h7-8H,5-6H2,1-4H3

InChIKey

POPIGHUDRUZIMG-UHFFFAOYSA-N

Compound name

2,2,6,6-tetramethyloxane-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 170.13068 Da
Monoisotopic Mass: 1.3
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]+	171.137956	133.4
[M+Na]+	193.119898	141.4
[M-H]-	169.123404	138.1
[M+NH4]+	188.164503	157.1
[M+K]+	209.093838	142.1
[M+H-H2O]+	153.127940	130.1
[M+HCOO]-	215.128881	153.1
[M+CH3COO]-	229.144531	180.2
[M+Na-2H]-	191.105346	140.7
[M]+	170.13013142	133.8
[M]-	170.13122858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe