CID 6439618

Basidalin

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=C(/C(=C\C=O)/OC1=O)N
InChI
InChI=1S/C6H5NO3/c7-4-3-6(9)10-5(4)1-2-8/h1-3H,7H2/b5-1+
InChIKey
FFJHVCSTCUPZJW-ORCRQEGFSA-N
Compound name
(2E)-2-(3-amino-5-oxofuran-2-ylidene)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

139.02695 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 123.4
[M+Na]+ 162.01617 132.8
[M-H]- 138.01967 127.9
[M+NH4]+ 157.06077 145.3
[M+K]+ 177.99011 132.1
[M+H-H2O]+ 122.02421 118.7
[M+HCOO]- 184.02515 148.9
[M+CH3COO]- 198.04080 171.9
[M+Na-2H]- 160.00162 129.0
[M]+ 139.02640 123.2
[M]- 139.02750 123.2
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