CID 13834698

2-(tert-butoxy)acetaldehyde

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC(C)(C)OCC=O

InChI

InChI=1S/C6H12O2/c1-6(2,3)8-5-4-7/h4H,5H2,1-3H3

InChIKey

SMUYZOMGNHBYHU-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxy]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 480
Patents: 116.08373 Da
Monoisotopic Mass: 0.6
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]+	117.091006	123.0
[M+Na]+	139.072948	131.2
[M-H]-	115.076454	123.8
[M+NH4]+	134.117553	146.1
[M+K]+	155.046888	131.8
[M+H-H2O]+	99.080990	119.4
[M+HCOO]-	161.081931	146.1
[M+CH3COO]-	175.097581	169.9
[M+Na-2H]-	137.058396	131.0
[M]+	116.08318142	126.1
[M]-	116.08427858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe