CID 8029

Furan

Structural Information

Molecular Formula
C4H4O
SMILES
C1=COC=C1
InChI
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
InChIKey
YLQBMQCUIZJEEH-UHFFFAOYSA-N
Compound name
furan
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3460
References

372279
Patents

68.026215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 69.033491 106.0
[M+Na]+ 91.015433 114.6
[M-H]- 67.018939 110.5
[M+NH4]+ 86.060038 130.8
[M+K]+ 106.98937 115.9
[M+H-H2O]+ 51.023475 101.7
[M+HCOO]- 113.02442 132.3
[M+CH3COO]- 127.04007 157.3
[M+Na-2H]- 89.000881 116.5
[M]+ 68.025666 106.5
[M]- 68.026764 106.5
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

No patent data available for this compound.