CID 15013419

5,5-dimethyloxolane-2-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CCC(O1)C=O)C
InChI
InChI=1S/C7H12O2/c1-7(2)4-3-6(5-8)9-7/h5-6H,3-4H2,1-2H3
InChIKey
SNGTYKJWJUMRFZ-UHFFFAOYSA-N
Compound name
5,5-dimethyloxolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

128.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 123.4
[M+Na]+ 151.072938 131.6
[M-H]- 127.076444 127.8
[M+NH4]+ 146.117543 148.1
[M+K]+ 167.046878 132.4
[M+H-H2O]+ 111.080980 119.9
[M+HCOO]- 173.081921 146.1
[M+CH3COO]- 187.097571 169.9
[M+Na-2H]- 149.058386 130.2
[M]+ 128.08317142 123.8
[M]- 128.08426858 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