CID 105427367

3-methyloxane-3-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CCCOC1)C=O
InChI
InChI=1S/C7H12O2/c1-7(5-8)3-2-4-9-6-7/h5H,2-4,6H2,1H3
InChIKey
AXDPXRARTRGNJK-UHFFFAOYSA-N
Compound name
3-methyloxane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 124.4
[M+Na]+ 151.072938 130.8
[M-H]- 127.076444 128.4
[M+NH4]+ 146.117543 147.0
[M+K]+ 167.046878 131.8
[M+H-H2O]+ 111.080980 120.0
[M+HCOO]- 173.081921 145.1
[M+CH3COO]- 187.097571 169.0
[M+Na-2H]- 149.058386 133.0
[M]+ 128.08317142 122.4
[M]- 128.08426858 122.4
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

No patent data available for this compound.