CID 171036338

1,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1C2(CC(C2)(O1)C)C=O
InChI
InChI=1S/C8H12O2/c1-6-8(5-9)3-7(2,4-8)10-6/h5-6H,3-4H2,1-2H3
InChIKey
HCQIOHLNYRWUBP-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 131.8
[M+Na]+ 163.07294 140.2
[M-H]- 139.07644 134.5
[M+NH4]+ 158.11754 156.9
[M+K]+ 179.04688 141.8
[M+H-H2O]+ 123.08098 127.2
[M+HCOO]- 185.08192 150.1
[M+CH3COO]- 199.09757 179.1
[M+Na-2H]- 161.05839 141.6
[M]+ 140.08317 146.8
[M]- 140.08427 146.8
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

No patent data available for this compound.