CID 138111923

2-oxabicyclo[2.1.1]hexane-4-carbaldehyde

Structural Information

Molecular Formula
C6H8O2
SMILES
C1C2CC1(CO2)C=O
InChI
InChI=1S/C6H8O2/c7-3-6-1-5(2-6)8-4-6/h3,5H,1-2,4H2
InChIKey
JUCGRAFNXFRISG-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.1.1]hexane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 120.4
[M+Na]+ 135.04165 127.8
[M-H]- 111.04515 122.8
[M+NH4]+ 130.08625 144.4
[M+K]+ 151.01559 130.5
[M+H-H2O]+ 95.049690 115.0
[M+HCOO]- 157.05063 139.6
[M+CH3COO]- 171.06628 172.5
[M+Na-2H]- 133.02710 131.1
[M]+ 112.05188 134.2
[M]- 112.05298 134.2
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.