CID 138987731

1-methyl-2-oxabicyclo[3.1.1]heptane-5-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
CC12CC(C1)(CCO2)C=O
InChI
InChI=1S/C8H12O2/c1-7-4-8(5-7,6-9)2-3-10-7/h6H,2-5H2,1H3
InChIKey
CQWGOLOMMQCZAN-UHFFFAOYSA-N
Compound name
1-methyl-2-oxabicyclo[3.1.1]heptane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 127.0
[M+Na]+ 163.07294 133.1
[M+NH4]+ 158.11754 136.4
[M+K]+ 179.04688 125.5
[M-H]- 139.07644 124.2
[M+Na-2H]- 161.05839 126.9
[M]+ 140.08317 126.2
[M]- 140.08427 126.2
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.