CID 87455960

2,2-dimethyl-3-(propan-2-yloxy)propanal

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC(C)OCC(C)(C)C=O

InChI

InChI=1S/C8H16O2/c1-7(2)10-6-8(3,4)5-9/h5,7H,6H2,1-4H3

InChIKey

AMGFQCCAMAEROA-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-propan-2-yloxypropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 144.11504 Da
Monoisotopic Mass: 1.2
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]+	145.12232	132.5
[M+Na]+	167.10426	142.2
[M+NH4]+	162.14886	139.8
[M+K]+	183.07820	137.8
[M-H]-	143.10776	131.0
[M+Na-2H]-	165.08971	135.7
[M]+	144.11449	133.3
[M]-	144.11559	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe