CID 76848441

5,5-dimethyltetrahydrofuran-3-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC1(CC(CO1)C=O)C

InChI

InChI=1S/C7H12O2/c1-7(2)3-6(4-8)5-9-7/h4,6H,3,5H2,1-2H3

InChIKey

KRSXHUDYZPAVAX-UHFFFAOYSA-N

Compound name

5,5-dimethyloxolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 128.08372 Da
Monoisotopic Mass: 0.3
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]+	129.09100	125.5
[M+Na]+	151.07294	136.1
[M+NH4]+	146.11754	135.6
[M+K]+	167.04688	130.9
[M-H]-	127.07644	127.8
[M+Na-2H]-	149.05839	131.0
[M]+	128.08317	127.7
[M]-	128.08427	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe