CID 105427368

2-methyloxane-2-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CCCCO1)C=O
InChI
InChI=1S/C7H12O2/c1-7(6-8)4-2-3-5-9-7/h6H,2-5H2,1H3
InChIKey
BAYBMNODWZBBTE-UHFFFAOYSA-N
Compound name
2-methyloxane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.2
[M+Na]+ 151.07294 137.5
[M+NH4]+ 146.11754 136.6
[M+K]+ 167.04688 130.0
[M-H]- 127.07644 129.3
[M+Na-2H]- 149.05839 132.9
[M]+ 128.08317 128.7
[M]- 128.08427 128.7
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.