CID 68744683

2,3-dihydrobenzofuran-6-carbonitrile

Structural Information

Molecular Formula
C9H7NO
SMILES
C1COC2=C1C=CC(=C2)C#N
InChI
InChI=1S/C9H7NO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-2,5H,3-4H2
InChIKey
RJPOMXNJTKGVJD-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

145.05276 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 131.6
[M+Na]+ 168.04198 144.0
[M+NH4]+ 163.08658 137.9
[M+K]+ 184.01592 135.9
[M-H]- 144.04548 127.9
[M+Na-2H]- 166.02743 135.0
[M]+ 145.05221 131.5
[M]- 145.05331 131.5
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

patents stripe