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

30
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 123.4
[M+Na]+ 151.07294 131.6
[M-H]- 127.07644 127.8
[M+NH4]+ 146.11754 148.1
[M+K]+ 167.04688 132.4
[M+H-H2O]+ 111.08098 119.9
[M+HCOO]- 173.08192 146.1
[M+CH3COO]- 187.09757 169.9
[M+Na-2H]- 149.05839 130.2
[M]+ 128.08317 123.8
[M]- 128.08427 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe