CID 58501772

135576-99-7

Structural Information

Molecular Formula
C6H8O2
SMILES
C1[C@@H]2[C@@H](C2C=O)CO1
InChI
InChI=1S/C6H8O2/c7-1-4-5-2-8-3-6(4)5/h1,4-6H,2-3H2/t4?,5-,6+
InChIKey
HCNKYBNHDIUTPL-GOHHTPAQSA-N
Compound name
(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

112.05243 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.2
[M+Na]+ 135.04165 133.5
[M+NH4]+ 130.08625 131.1
[M+K]+ 151.01559 131.3
[M-H]- 111.04515 130.4
[M+Na-2H]- 133.02710 127.4
[M]+ 112.05188 126.5
[M]- 112.05298 126.5
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

patents stripe