CID 11434929

2-furancarboxaldehyde, tetrahydro-5-oxo-, (2r)-

Structural Information

Molecular Formula
C5H6O3
SMILES
C1CC(=O)O[C@H]1C=O
InChI
InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h3-4H,1-2H2/t4-/m1/s1
InChIKey
ZFXZBQWFIKDIQK-SCSAIBSYSA-N
Compound name
(2R)-5-oxooxolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

114.03169 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 117.2
[M+Na]+ 137.02091 125.6
[M-H]- 113.02441 121.6
[M+NH4]+ 132.06551 140.3
[M+K]+ 152.99485 126.5
[M+H-H2O]+ 97.028950 112.9
[M+HCOO]- 159.02989 141.0
[M+CH3COO]- 173.04554 165.4
[M+Na-2H]- 135.00636 123.8
[M]+ 114.03114 117.4
[M]- 114.03224 117.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe