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]+ 129.09100 124.4
[M+Na]+ 151.07294 130.8
[M-H]- 127.07644 128.4
[M+NH4]+ 146.11754 147.0
[M+K]+ 167.04688 131.8
[M+H-H2O]+ 111.08098 120.0
[M+HCOO]- 173.08192 145.1
[M+CH3COO]- 187.09757 169.0
[M+Na-2H]- 149.05839 133.0
[M]+ 128.08317 122.4
[M]- 128.08427 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.