CID 18606

3237-22-7

Structural Information

Molecular Formula
C8H4N2O
SMILES
C1=COC(=C1)C=C(C#N)C#N
InChI
InChI=1S/C8H4N2O/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4H
InChIKey
CRUJHLHRJSNZIU-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

121
Patents

144.03236 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03964 144.8
[M+Na]+ 167.02158 155.0
[M-H]- 143.02508 148.3
[M+NH4]+ 162.06618 158.9
[M+K]+ 182.99552 152.2
[M+H-H2O]+ 127.02962 129.3
[M+HCOO]- 189.03056 157.8
[M+CH3COO]- 203.04621 208.3
[M+Na-2H]- 165.00703 147.6
[M]+ 144.03181 137.1
[M]- 144.03291 137.1
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