CID 642139

5-formylfuran-2-carbonitrile

Structural Information

Molecular Formula
C6H3NO2
SMILES
C1=C(OC(=C1)C#N)C=O
InChI
InChI=1S/C6H3NO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H
InChIKey
PUQKOVRPNHYQIY-UHFFFAOYSA-N
Compound name
5-formylfuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

121.01638 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.02366 119.1
[M+Na]+ 144.00560 131.0
[M-H]- 120.00910 123.4
[M+NH4]+ 139.05020 139.8
[M+K]+ 159.97954 130.0
[M+H-H2O]+ 104.01364 107.6
[M+HCOO]- 166.01458 141.3
[M+CH3COO]- 180.03023 181.4
[M+Na-2H]- 141.99105 126.7
[M]+ 121.01583 116.6
[M]- 121.01693 116.6
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