CID 178189942

2-oxabicyclo[2.2.1]heptane-4-carbaldehyde

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(CC1OC2)C=O
InChI
InChI=1S/C7H10O2/c8-4-7-2-1-6(3-7)9-5-7/h4,6H,1-3,5H2
InChIKey
OHZRECIGRRQXKM-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.1]heptane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 124.1
[M+Na]+ 149.057298 132.2
[M-H]- 125.060804 127.7
[M+NH4]+ 144.101903 151.9
[M+K]+ 165.031238 132.2
[M+H-H2O]+ 109.065340 121.1
[M+HCOO]- 171.066281 145.8
[M+CH3COO]- 185.081931 168.3
[M+Na-2H]- 147.042746 131.7
[M]+ 126.06753142 124.2
[M]- 126.06862858 124.2
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.