CID 68744683

1112184-64-1

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

15
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 128.0
[M+Na]+ 168.04198 139.6
[M-H]- 144.04548 132.6
[M+NH4]+ 163.08658 148.9
[M+K]+ 184.01592 135.9
[M+H-H2O]+ 128.05002 116.4
[M+HCOO]- 190.05096 147.7
[M+CH3COO]- 204.06661 141.5
[M+Na-2H]- 166.02743 135.7
[M]+ 145.05221 123.5
[M]- 145.05331 123.5
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