CID 6208

5-methoxyfuran-2-carbaldehyde

Structural Information

Molecular Formula
C6H6O3
SMILES
COC1=CC=C(O1)C=O
InChI
InChI=1S/C6H6O3/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
InChIKey
RJGBSYZFOCAGQY-UHFFFAOYSA-N
Compound name
5-methoxyfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17360
Patents

126.03169 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03897 119.1
[M+Na]+ 149.02091 129.0
[M-H]- 125.02441 124.1
[M+NH4]+ 144.06551 142.1
[M+K]+ 164.99485 129.9
[M+H-H2O]+ 109.02895 114.6
[M+HCOO]- 171.02989 145.4
[M+CH3COO]- 185.04554 168.6
[M+Na-2H]- 147.00636 127.2
[M]+ 126.03114 123.3
[M]- 126.03224 123.3
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