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

3456
References

383443
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

literature stripe

Patent stripe

patents stripe