CID 100698

Furan-3-carbonitrile

Structural Information

Molecular Formula
C5H3NO
SMILES
C1=COC=C1C#N
InChI
InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H
InChIKey
ZQFYJHMUAWCEBH-UHFFFAOYSA-N
Compound name
furan-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

672
Patents

93.02146 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.028736 113.2
[M+Na]+ 116.01068 124.5
[M-H]- 92.014184 117.2
[M+NH4]+ 111.05528 134.8
[M+K]+ 131.98462 123.7
[M+H-H2O]+ 76.018720 101.7
[M+HCOO]- 138.01966 135.3
[M+CH3COO]- 152.03531 176.7
[M+Na-2H]- 113.99613 121.9
[M]+ 93.020911 109.3
[M]- 93.022009 109.3
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